bis(carbon dioxide);2-chloro-5-[3-[(2-cyclopentyl-3-oxo-1,2-benzothiazol-6-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-6-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-(quinolin-6-yloxymethyl)phenyl]benzoic acid;2-cyclopentyl-6-[4-(2-methoxyphenoxy)butoxy]-1,2-benzothiazol-3-one;2-cyclopentyl-5-[4-(2-methoxyphenoxy)butoxy]-3H-isoindol-1-one

C185H180Cl5N9O29S2 — CID 159908338

About bis(carbon dioxide);2-chloro-5-[3-[(2-cyclopentyl-3-oxo-1,2-benzothiazol-6-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-6-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-(quinolin-6-yloxymethyl)phenyl]benzoic acid;2-cyclopentyl-6-[4-(2-methoxyphenoxy)butoxy]-1,2-benzothiazol-3-one;2-cyclopentyl-5-[4-(2-methoxyphenoxy)butoxy]-3H-isoindol-1-one

bis(carbon dioxide);2-chloro-5-[3-[(2-cyclopentyl-3-oxo-1,2-benzothiazol-6-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-6-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-(quinolin-6-yloxymethyl)phenyl]benzoic acid;2-cyclopentyl-6-[4-(2-methoxyphenoxy)butoxy]-1,2-benzothiazol-3-one;2-cyclopentyl-5-[4-(2-methoxyphenoxy)butoxy]-3H-isoindol-1-one (PubChem CID 159908338) has the molecular formula C185H180Cl5N9O29S2 and a molecular weight of 3234.91 g/mol. Its IUPAC name is bis(carbon dioxide);2-chloro-5-[3-[(2-cyclopentyl-3-oxo-1,2-benzothiazol-6-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-6-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-(quinolin-6-yloxymethyl)phenyl]benzoic acid;2-cyclopentyl-6-[4-(2-methoxyphenoxy)butoxy]-1,2-benzothiazol-3-one;2-cyclopentyl-5-[4-(2-methoxyphenoxy)butoxy]-3H-isoindol-1-one.

Molecular Properties

• Compound Name: bis(carbon dioxide);2-chloro-5-[3-[(2-cyclopentyl-3-oxo-1,2-benzothiazol-6-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-6-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-(quinolin-6-yloxymethyl)phenyl]benzoic acid;2-cyclopentyl-6-[4-(2-methoxyphenoxy)butoxy]-1,2-benzothiazol-3-one;2-cyclopentyl-5-[4-(2-methoxyphenoxy)butoxy]-3H-isoindol-1-one
• PubChem CID: 159908338
• Molecular Formula: C185H180Cl5N9O29S2
• Molecular Weight: 3234.91 g/mol
• Exact Mass: 3230.08
• IUPAC Name: bis(carbon dioxide);2-chloro-5-[3-[(2-cyclopentyl-3-oxo-1,2-benzothiazol-6-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-6-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-(quinolin-6-yloxymethyl)phenyl]benzoic acid;2-cyclopentyl-6-[4-(2-methoxyphenoxy)butoxy]-1,2-benzothiazol-3-one;2-cyclopentyl-5-[4-(2-methoxyphenoxy)butoxy]-3H-isoindol-1-one
• SMILES: CN(C)C(=O)c1cc(-c2cccc(COc3ccc4c(=O)n(C5CCCC5)sc4c3)c2)ccc1Cl.CN(C)C(=O)c1cc(-c2cccc(COc3ccc4c(c3)CN(C3CCCC3)C4=O)c2)ccc1Cl.COc1ccccc1OCCCCOc1ccc2c(=O)n(C3CCCC3)sc2c1.COc1ccccc1OCCCCOc1ccc2c(c1)CN(C1CCCC1)C2=O.O=C(O)c1cc(-c2cccc(COc3ccc4c(c3)C(=O)N(C3CCCC3)CC4)c2)ccc1Cl.O=C(O)c1cc(-c2cccc(COc3ccc4c(c3)CCN(C3CCCC3)C4=O)c2)ccc1Cl.O=C(O)c1cc(-c2cccc(COc3ccc4ncccc4c3)c2)ccc1Cl.O=C=O.O=C=O
• InChI: InChI=1S/C29H29ClN2O3.C28H27ClN2O3S.2C28H26ClNO4.C24H29NO4.C23H16ClNO3.C23H27NO4S.2CO2/c1-31(2)28(33)26-16-21(10-13-27(26)30)20-7-5-6-19(14-20)18-35-24-11-12-25-22(15-24)17-32(29(25)34)23-8-3-4-9-23;1-30(2)27(32)24-15-20(10-13-25(24)29)19-7-5-6-18(14-19)17-34-22-11-12-23-26(16-22)35-31(28(23)33)21-8-3-4-9-21;29-26-11-8-20(16-25(26)28(32)33)19-5-3-4-18(14-19)17-34-23-9-10-24-21(15-23)12-13-30(27(24)31)22-6-1-2-7-22;29-26-11-9-21(15-25(26)28(32)33)20-5-3-4-18(14-20)17-34-23-10-8-19-12-13-30(22-6-1-2-7-22)27(31)24(19)16-23;1-27-22-10-4-5-11-23(22)29-15-7-6-14-28-20-12-13-21-18(16-20)17-25(24(21)26)19-8-2-3-9-19;24-21-8-6-17(13-20(21)23(26)27)16-4-1-3-15(11-16)14-28-19-7-9-22-18(12-19)5-2-10-25-22;1-26-20-10-4-5-11-21(20)28-15-7-6-14-27-18-12-13-19-22(16-18)29-24(23(19)25)17-8-2-3-9-17;2*2-1-3/h5-7,10-16,23H,3-4,8-9,17-18H2,1-2H3;5-7,10-16,21H,3-4,8-9,17H2,1-2H3;2*3-5,8-11,14-16,22H,1-2,6-7,12-13,17H2,(H,32,33);4-5,10-13,16,19H,2-3,6-9,14-15,17H2,1H3;1-13H,14H2,(H,26,27);4-5,10-13,16-17H,2-3,6-9,14-15H2,1H3
• InChIKey: NWVYWKHEPSZMIL-UHFFFAOYSA-N
• XLogP: 40.34
• TPSA: 460.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 47
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3234.91
LogP ≤ 5	40.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);2-chloro-5-[3-[(2-cyclopentyl-3-oxo-1,2-benzothiazol-6-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-6-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-(quinolin-6-yloxymethyl)phenyl]benzoic acid;2-cyclopentyl-6-[4-(2-methoxyphenoxy)butoxy]-1,2-benzothiazol-3-one;2-cyclopentyl-5-[4-(2-methoxyphenoxy)butoxy]-3H-isoindol-1-one?

The IUPAC name of bis(carbon dioxide);2-chloro-5-[3-[(2-cyclopentyl-3-oxo-1,2-benzothiazol-6-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-6-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-(quinolin-6-yloxymethyl)phenyl]benzoic acid;2-cyclopentyl-6-[4-(2-methoxyphenoxy)butoxy]-1,2-benzothiazol-3-one;2-cyclopentyl-5-[4-(2-methoxyphenoxy)butoxy]-3H-isoindol-1-one (CID 159908338) is bis(carbon dioxide);2-chloro-5-[3-[(2-cyclopentyl-3-oxo-1,2-benzothiazol-6-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-6-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-(quinolin-6-yloxymethyl)phenyl]benzoic acid;2-cyclopentyl-6-[4-(2-methoxyphenoxy)butoxy]-1,2-benzothiazol-3-one;2-cyclopentyl-5-[4-(2-methoxyphenoxy)butoxy]-3H-isoindol-1-one.

What is the SMILES notation for bis(carbon dioxide);2-chloro-5-[3-[(2-cyclopentyl-3-oxo-1,2-benzothiazol-6-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-6-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-(quinolin-6-yloxymethyl)phenyl]benzoic acid;2-cyclopentyl-6-[4-(2-methoxyphenoxy)butoxy]-1,2-benzothiazol-3-one;2-cyclopentyl-5-[4-(2-methoxyphenoxy)butoxy]-3H-isoindol-1-one?

The canonical SMILES for bis(carbon dioxide);2-chloro-5-[3-[(2-cyclopentyl-3-oxo-1,2-benzothiazol-6-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-6-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-(quinolin-6-yloxymethyl)phenyl]benzoic acid;2-cyclopentyl-6-[4-(2-methoxyphenoxy)butoxy]-1,2-benzothiazol-3-one;2-cyclopentyl-5-[4-(2-methoxyphenoxy)butoxy]-3H-isoindol-1-one is CN(C)C(=O)c1cc(-c2cccc(COc3ccc4c(=O)n(C5CCCC5)sc4c3)c2)ccc1Cl.CN(C)C(=O)c1cc(-c2cccc(COc3ccc4c(c3)CN(C3CCCC3)C4=O)c2)ccc1Cl.COc1ccccc1OCCCCOc1ccc2c(=O)n(C3CCCC3)sc2c1.COc1ccccc1OCCCCOc1ccc2c(c1)CN(C1CCCC1)C2=O.O=C(O)c1cc(-c2cccc(COc3ccc4c(c3)C(=O)N(C3CCCC3)CC4)c2)ccc1Cl.O=C(O)c1cc(-c2cccc(COc3ccc4c(c3)CCN(C3CCCC3)C4=O)c2)ccc1Cl.O=C(O)c1cc(-c2cccc(COc3ccc4ncccc4c3)c2)ccc1Cl.O=C=O.O=C=O.

What is the InChIKey of bis(carbon dioxide);2-chloro-5-[3-[(2-cyclopentyl-3-oxo-1,2-benzothiazol-6-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-6-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-(quinolin-6-yloxymethyl)phenyl]benzoic acid;2-cyclopentyl-6-[4-(2-methoxyphenoxy)butoxy]-1,2-benzothiazol-3-one;2-cyclopentyl-5-[4-(2-methoxyphenoxy)butoxy]-3H-isoindol-1-one?

The InChIKey is NWVYWKHEPSZMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN2O3.C28H27ClN2O3S.2C28H26ClNO4.C24H29NO4.C23H16ClNO3.C23H27NO4S.2CO2/c1-31(2)28(33)26-16-21(10-13-27(26)30)20-7-5-6-19(14-20)18-35-24-11-12-25-22(15-24)17-32(29(25)34)23-8-3-4-9-23;1-30(2)27(32)24-15-20(10-13-25(24)29)19-7-5-6-18(14-19)17-34-22-11-12-23-26(16-22)35-31(28(23)33)21-8-3-4-9-21;29-26-11-8-20(16-25(26)28(32)33)19-5-3-4-18(14-19)17-34-23-9-10-24-21(15-23)12-13-30(27(24)31)22-6-1-2-7-22;29-26-11-9-21(15-25(26)28(32)33)20-5-3-4-18(14-20)17-34-23-10-8-19-12-13-30(22-6-1-2-7-22)27(31)24(19)16-23;1-27-22-10-4-5-11-23(22)29-15-7-6-14-28-20-12-13-21-18(16-20)17-25(24(21)26)19-8-2-3-9-19;24-21-8-6-17(13-20(21)23(26)27)16-4-1-3-15(11-16)14-28-19-7-9-22-18(12-19)5-2-10-25-22;1-26-20-10-4-5-11-21(20)28-15-7-6-14-27-18-12-13-19-22(16-18)29-24(23(19)25)17-8-2-3-9-17;2*2-1-3/h5-7,10-16,23H,3-4,8-9,17-18H2,1-2H3;5-7,10-16,21H,3-4,8-9,17H2,1-2H3;2*3-5,8-11,14-16,22H,1-2,6-7,12-13,17H2,(H,32,33);4-5,10-13,16,19H,2-3,6-9,14-15,17H2,1H3;1-13H,14H2,(H,26,27);4-5,10-13,16-17H,2-3,6-9,14-15H2,1H3;;.

What are the key properties of bis(carbon dioxide);2-chloro-5-[3-[(2-cyclopentyl-3-oxo-1,2-benzothiazol-6-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-6-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-(quinolin-6-yloxymethyl)phenyl]benzoic acid;2-cyclopentyl-6-[4-(2-methoxyphenoxy)butoxy]-1,2-benzothiazol-3-one;2-cyclopentyl-5-[4-(2-methoxyphenoxy)butoxy]-3H-isoindol-1-one?

bis(carbon dioxide);2-chloro-5-[3-[(2-cyclopentyl-3-oxo-1,2-benzothiazol-6-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-6-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-(quinolin-6-yloxymethyl)phenyl]benzoic acid;2-cyclopentyl-6-[4-(2-methoxyphenoxy)butoxy]-1,2-benzothiazol-3-one;2-cyclopentyl-5-[4-(2-methoxyphenoxy)butoxy]-3H-isoindol-1-one has a molecular weight of 3234.91 g/mol, XLogP of 40.34, 47 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for bis(carbon dioxide);2-chloro-5-[3-[(2-cyclopentyl-3-oxo-1,2-benzothiazol-6-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-6-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxymethyl]phenyl]benzoic acid;2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide;2-chloro-5-[3-(quinolin-6-yloxymethyl)phenyl]benzoic acid;2-cyclopentyl-6-[4-(2-methoxyphenoxy)butoxy]-1,2-benzothiazol-3-one;2-cyclopentyl-5-[4-(2-methoxyphenoxy)butoxy]-3H-isoindol-1-one is sourced from PubChem (CID 159908338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).