N-benzyl-4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]benzamide;3-[3-[2-[(4-carboxylatophenyl)methoxy]-5-chlorophenyl]thiophen-2-yl]benzoate;4-[[2-[2-(4-carboxylatophenyl)thiophen-3-yl]-4-chlorophenoxy]methyl]benzoate;4-[3-[5-chloro-2-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]thiophen-2-yl]-3-methylbenzoate

C107H73Cl3F2NO16S4-5 — CID 90915655

About N-benzyl-4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]benzamide;3-[3-[2-[(4-carboxylatophenyl)methoxy]-5-chlorophenyl]thiophen-2-yl]benzoate;4-[[2-[2-(4-carboxylatophenyl)thiophen-3-yl]-4-chlorophenoxy]methyl]benzoate;4-[3-[5-chloro-2-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]thiophen-2-yl]-3-methylbenzoate

N-benzyl-4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]benzamide;3-[3-[2-[(4-carboxylatophenyl)methoxy]-5-chlorophenyl]thiophen-2-yl]benzoate;4-[[2-[2-(4-carboxylatophenyl)thiophen-3-yl]-4-chlorophenoxy]methyl]benzoate;4-[3-[5-chloro-2-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]thiophen-2-yl]-3-methylbenzoate (PubChem CID 90915655) has the molecular formula C107H73Cl3F2NO16S4-5 and a molecular weight of 1901.37 g/mol. Its IUPAC name is N-benzyl-4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]benzamide;3-[3-[2-[(4-carboxylatophenyl)methoxy]-5-chlorophenyl]thiophen-2-yl]benzoate;4-[[2-[2-(4-carboxylatophenyl)thiophen-3-yl]-4-chlorophenoxy]methyl]benzoate;4-[3-[5-chloro-2-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]thiophen-2-yl]-3-methylbenzoate.

Molecular Properties

• Compound Name: N-benzyl-4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]benzamide;3-[3-[2-[(4-carboxylatophenyl)methoxy]-5-chlorophenyl]thiophen-2-yl]benzoate;4-[[2-[2-(4-carboxylatophenyl)thiophen-3-yl]-4-chlorophenoxy]methyl]benzoate;4-[3-[5-chloro-2-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]thiophen-2-yl]-3-methylbenzoate
• PubChem CID: 90915655
• Molecular Formula: C107H73Cl3F2NO16S4-5
• Molecular Weight: 1901.37 g/mol
• Exact Mass: 1898.29
• IUPAC Name: N-benzyl-4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]benzamide;3-[3-[2-[(4-carboxylatophenyl)methoxy]-5-chlorophenyl]thiophen-2-yl]benzoate;4-[[2-[2-(4-carboxylatophenyl)thiophen-3-yl]-4-chlorophenoxy]methyl]benzoate;4-[3-[5-chloro-2-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]thiophen-2-yl]-3-methylbenzoate
• SMILES: Cc1cc(C(=O)[O-])ccc1-c1sccc1-c1cc(Cl)ccc1OCc1ccc(OC(F)F)cc1.O=C(NCc1ccccc1)c1ccc(-c2cscc2-c2ccccc2OCc2ccccc2)cc1.O=C([O-])c1ccc(COc2ccc(Cl)cc2-c2ccsc2-c2ccc(C(=O)[O-])cc2)cc1.O=C([O-])c1ccc(COc2ccc(Cl)cc2-c2ccsc2-c2cccc(C(=O)[O-])c2)cc1
• InChI: InChI=1S/C31H25NO2S.C26H19ClF2O4S.2C25H17ClO5S/c33-31(32-19-23-9-3-1-4-10-23)26-17-15-25(16-18-26)28-21-35-22-29(28)27-13-7-8-14-30(27)34-20-24-11-5-2-6-12-24;1-15-12-17(25(30)31)4-8-20(15)24-21(10-11-34-24)22-13-18(27)5-9-23(22)32-14-16-2-6-19(7-3-16)33-26(28)29;26-19-9-10-22(31-14-15-1-3-17(4-2-15)24(27)28)21(13-19)20-11-12-32-23(20)16-5-7-18(8-6-16)25(29)30;26-19-8-9-22(31-14-15-4-6-16(7-5-15)24(27)28)21(13-19)20-10-11-32-23(20)17-2-1-3-18(12-17)25(29)30/h1-18,21-22H,19-20H2,(H,32,33);2-13,26H,14H2,1H3,(H,30,31);2*1-13H,14H2,(H,27,28)(H,29,30)/p-5
• InChIKey: ONXYEFOPBVNBPH-UHFFFAOYSA-I
• XLogP: 22.26
• TPSA: 275.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 30
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1901.37
LogP ≤ 5	22.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]benzamide;3-[3-[2-[(4-carboxylatophenyl)methoxy]-5-chlorophenyl]thiophen-2-yl]benzoate;4-[[2-[2-(4-carboxylatophenyl)thiophen-3-yl]-4-chlorophenoxy]methyl]benzoate;4-[3-[5-chloro-2-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]thiophen-2-yl]-3-methylbenzoate?

The IUPAC name of N-benzyl-4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]benzamide;3-[3-[2-[(4-carboxylatophenyl)methoxy]-5-chlorophenyl]thiophen-2-yl]benzoate;4-[[2-[2-(4-carboxylatophenyl)thiophen-3-yl]-4-chlorophenoxy]methyl]benzoate;4-[3-[5-chloro-2-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]thiophen-2-yl]-3-methylbenzoate (CID 90915655) is N-benzyl-4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]benzamide;3-[3-[2-[(4-carboxylatophenyl)methoxy]-5-chlorophenyl]thiophen-2-yl]benzoate;4-[[2-[2-(4-carboxylatophenyl)thiophen-3-yl]-4-chlorophenoxy]methyl]benzoate;4-[3-[5-chloro-2-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]thiophen-2-yl]-3-methylbenzoate.

What is the SMILES notation for N-benzyl-4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]benzamide;3-[3-[2-[(4-carboxylatophenyl)methoxy]-5-chlorophenyl]thiophen-2-yl]benzoate;4-[[2-[2-(4-carboxylatophenyl)thiophen-3-yl]-4-chlorophenoxy]methyl]benzoate;4-[3-[5-chloro-2-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]thiophen-2-yl]-3-methylbenzoate?

The canonical SMILES for N-benzyl-4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]benzamide;3-[3-[2-[(4-carboxylatophenyl)methoxy]-5-chlorophenyl]thiophen-2-yl]benzoate;4-[[2-[2-(4-carboxylatophenyl)thiophen-3-yl]-4-chlorophenoxy]methyl]benzoate;4-[3-[5-chloro-2-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]thiophen-2-yl]-3-methylbenzoate is Cc1cc(C(=O)[O-])ccc1-c1sccc1-c1cc(Cl)ccc1OCc1ccc(OC(F)F)cc1.O=C(NCc1ccccc1)c1ccc(-c2cscc2-c2ccccc2OCc2ccccc2)cc1.O=C([O-])c1ccc(COc2ccc(Cl)cc2-c2ccsc2-c2ccc(C(=O)[O-])cc2)cc1.O=C([O-])c1ccc(COc2ccc(Cl)cc2-c2ccsc2-c2cccc(C(=O)[O-])c2)cc1.

What is the InChIKey of N-benzyl-4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]benzamide;3-[3-[2-[(4-carboxylatophenyl)methoxy]-5-chlorophenyl]thiophen-2-yl]benzoate;4-[[2-[2-(4-carboxylatophenyl)thiophen-3-yl]-4-chlorophenoxy]methyl]benzoate;4-[3-[5-chloro-2-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]thiophen-2-yl]-3-methylbenzoate?

The InChIKey is ONXYEFOPBVNBPH-UHFFFAOYSA-I. The full InChI is InChI=1S/C31H25NO2S.C26H19ClF2O4S.2C25H17ClO5S/c33-31(32-19-23-9-3-1-4-10-23)26-17-15-25(16-18-26)28-21-35-22-29(28)27-13-7-8-14-30(27)34-20-24-11-5-2-6-12-24;1-15-12-17(25(30)31)4-8-20(15)24-21(10-11-34-24)22-13-18(27)5-9-23(22)32-14-16-2-6-19(7-3-16)33-26(28)29;26-19-9-10-22(31-14-15-1-3-17(4-2-15)24(27)28)21(13-19)20-11-12-32-23(20)16-5-7-18(8-6-16)25(29)30;26-19-8-9-22(31-14-15-4-6-16(7-5-15)24(27)28)21(13-19)20-10-11-32-23(20)17-2-1-3-18(12-17)25(29)30/h1-18,21-22H,19-20H2,(H,32,33);2-13,26H,14H2,1H3,(H,30,31);2*1-13H,14H2,(H,27,28)(H,29,30)/p-5.

What are the key properties of N-benzyl-4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]benzamide;3-[3-[2-[(4-carboxylatophenyl)methoxy]-5-chlorophenyl]thiophen-2-yl]benzoate;4-[[2-[2-(4-carboxylatophenyl)thiophen-3-yl]-4-chlorophenoxy]methyl]benzoate;4-[3-[5-chloro-2-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]thiophen-2-yl]-3-methylbenzoate?

N-benzyl-4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]benzamide;3-[3-[2-[(4-carboxylatophenyl)methoxy]-5-chlorophenyl]thiophen-2-yl]benzoate;4-[[2-[2-(4-carboxylatophenyl)thiophen-3-yl]-4-chlorophenoxy]methyl]benzoate;4-[3-[5-chloro-2-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]thiophen-2-yl]-3-methylbenzoate has a molecular weight of 1901.37 g/mol, XLogP of 22.26, 30 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]benzamide;3-[3-[2-[(4-carboxylatophenyl)methoxy]-5-chlorophenyl]thiophen-2-yl]benzoate;4-[[2-[2-(4-carboxylatophenyl)thiophen-3-yl]-4-chlorophenoxy]methyl]benzoate;4-[3-[5-chloro-2-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]thiophen-2-yl]-3-methylbenzoate is sourced from PubChem (CID 90915655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).