1-(1,3-benzodioxol-5-yl)-N-[3-(5-chlorothiophen-2-yl)-4-methylphenyl]cyclopropane-1-carboxamide;2-[5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-1H-indol-3-yl]acetic acid;1-(1,3-benzodioxol-5-yl)-N-[3-(1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;N-[3-(4-methoxy-3,5-dimethylphenyl)-4-methylphenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen

C102H99ClN6O14S — CID 159543772

IUPAC1-(1,3-benzodioxol-5-yl)-N-[3-(5-chlorothiophen-2-yl)-4-methylphenyl]cyclopropane-1-carboxamide;2-[5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-1H-indol-3-yl]acetic acid;1-(1,3-benzodioxol-5-yl)-N-[3-(1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;N-[3-(4-methoxy-3,5-dimethylphenyl)-4-methylphenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
SMILESCOc1ccc(C2(C(=O)Nc3ccc(C)c(-c4cc(C)c(OC)c(C)c4)c3)CC2)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(Cl)s1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc2[nH]cc(CC(=O)O)c2c1.O=C(Nc1cccc(-c2ccc3[nH]ccc3c2)c1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C28H24N2O5.C27H29NO3.C25H20N2O3.C22H18ClNO3S.4H2/c1-16-2-5-20(13-21(16)17-3-6-23-22(10-17)18(14-29-23)11-26(31)32)30-27(33)28(8-9-28)19-4-7-24-25(12-19)35-15-34-24;1-17-6-9-22(16-24(17)20-14-18(2)25(31-5)19(3)15-20)28-26(29)27(12-13-27)21-7-10-23(30-4)11-8-21;28-24(25(9-10-25)19-5-7-22-23(14-19)30-15-29-22)27-20-3-1-2-16(13-20)17-4-6-21-18(12-17)8-11-26-21;1-13-2-4-15(11-16(13)19-6-7-20(23)28-19)24-21(25)22(8-9-22)14-3-5-17-18(10-14)27-12-26-17;;;;/h2-7,10,12-14,29H,8-9,11,15H2,1H3,(H,30,33)(H,31,32);6-11,14-16H,12-13H2,1-5H3,(H,28,29);1-8,11-14,26H,9-10,15H2,(H,27,28);2-7,10-11H,8-9,12H2,1H3,(H,24,25);4*1H
InChIKeyMENRBHDDDJHLFJ-UHFFFAOYSA-N
MW1700.46 g/mol
LogP23.13
Rot. Bonds20

About 1-(1,3-benzodioxol-5-yl)-N-[3-(5-chlorothiophen-2-yl)-4-methylphenyl]cyclopropane-1-carboxamide;2-[5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-1H-indol-3-yl]acetic acid;1-(1,3-benzodioxol-5-yl)-N-[3-(1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;N-[3-(4-methoxy-3,5-dimethylphenyl)-4-methylphenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[3-(5-chlorothiophen-2-yl)-4-methylphenyl]cyclopropane-1-carboxamide;2-[5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-1H-indol-3-yl]acetic acid;1-(1,3-benzodioxol-5-yl)-N-[3-(1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;N-[3-(4-methoxy-3,5-dimethylphenyl)-4-methylphenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 159543772) has the molecular formula C102H99ClN6O14S and a molecular weight of 1700.46 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[3-(5-chlorothiophen-2-yl)-4-methylphenyl]cyclopropane-1-carboxamide;2-[5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-1H-indol-3-yl]acetic acid;1-(1,3-benzodioxol-5-yl)-N-[3-(1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;N-[3-(4-methoxy-3,5-dimethylphenyl)-4-methylphenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[3-(5-chlorothiophen-2-yl)-4-methylphenyl]cyclopropane-1-carboxamide;2-[5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-1H-indol-3-yl]acetic acid;1-(1,3-benzodioxol-5-yl)-N-[3-(1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;N-[3-(4-methoxy-3,5-dimethylphenyl)-4-methylphenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID159543772
Molecular FormulaC102H99ClN6O14S
Molecular Weight1700.46 g/mol
Exact Mass1698.66
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[3-(5-chlorothiophen-2-yl)-4-methylphenyl]cyclopropane-1-carboxamide;2-[5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-1H-indol-3-yl]acetic acid;1-(1,3-benzodioxol-5-yl)-N-[3-(1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;N-[3-(4-methoxy-3,5-dimethylphenyl)-4-methylphenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
SMILESCOc1ccc(C2(C(=O)Nc3ccc(C)c(-c4cc(C)c(OC)c(C)c4)c3)CC2)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(Cl)s1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc2[nH]cc(CC(=O)O)c2c1.O=C(Nc1cccc(-c2ccc3[nH]ccc3c2)c1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C28H24N2O5.C27H29NO3.C25H20N2O3.C22H18ClNO3S.4H2/c1-16-2-5-20(13-21(16)17-3-6-23-22(10-17)18(14-29-23)11-26(31)32)30-27(33)28(8-9-28)19-4-7-24-25(12-19)35-15-34-24;1-17-6-9-22(16-24(17)20-14-18(2)25(31-5)19(3)15-20)28-26(29)27(12-13-27)21-7-10-23(30-4)11-8-21;28-24(25(9-10-25)19-5-7-22-23(14-19)30-15-29-22)27-20-3-1-2-16(13-20)17-4-6-21-18(12-17)8-11-26-21;1-13-2-4-15(11-16(13)19-6-7-20(23)28-19)24-21(25)22(8-9-22)14-3-5-17-18(10-14)27-12-26-17;;;;/h2-7,10,12-14,29H,8-9,11,15H2,1H3,(H,30,33)(H,31,32);6-11,14-16H,12-13H2,1-5H3,(H,28,29);1-8,11-14,26H,9-10,15H2,(H,27,28);2-7,10-11H,8-9,12H2,1H3,(H,24,25);4*1H
InChIKeyMENRBHDDDJHLFJ-UHFFFAOYSA-N
XLogP23.13
TPSA259.12 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001700.46
LogP ≤ 523.13
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Analyze 1-(1,3-benzodioxol-5-yl)-N-[3-(5-chlorothiophen-2-yl)-4-methylphenyl]cyclopropane-1-carboxamide;2-[5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-1H-indol-3-yl]acetic acid;1-(1,3-benzodioxol-5-yl)-N-[3-(1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;N-[3-(4-methoxy-3,5-dimethylphenyl)-4-methylphenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen with MolForge

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[3-(1H-indol-6-yl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-thiophen-3-ylphenyl)cyclopropane-1-carboxamide;1-(2,3-dihydro-1-benzofuran-5-yl)-N-[3-(3-fluoro-4-methoxyphenyl)-4-methylphenyl]cyclopropane-1-carboxamide;4-methoxy-3-[5-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen
CID 157522689
N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide
CID 158925120

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[3-(5-chlorothiophen-2-yl)-4-methylphenyl]cyclopropane-1-carboxamide;2-[5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-1H-indol-3-yl]acetic acid;1-(1,3-benzodioxol-5-yl)-N-[3-(1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;N-[3-(4-methoxy-3,5-dimethylphenyl)-4-methylphenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[3-(5-chlorothiophen-2-yl)-4-methylphenyl]cyclopropane-1-carboxamide;2-[5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-1H-indol-3-yl]acetic acid;1-(1,3-benzodioxol-5-yl)-N-[3-(1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;N-[3-(4-methoxy-3,5-dimethylphenyl)-4-methylphenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen (CID 159543772) is 1-(1,3-benzodioxol-5-yl)-N-[3-(5-chlorothiophen-2-yl)-4-methylphenyl]cyclopropane-1-carboxamide;2-[5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-1H-indol-3-yl]acetic acid;1-(1,3-benzodioxol-5-yl)-N-[3-(1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;N-[3-(4-methoxy-3,5-dimethylphenyl)-4-methylphenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[3-(5-chlorothiophen-2-yl)-4-methylphenyl]cyclopropane-1-carboxamide;2-[5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-1H-indol-3-yl]acetic acid;1-(1,3-benzodioxol-5-yl)-N-[3-(1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;N-[3-(4-methoxy-3,5-dimethylphenyl)-4-methylphenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[3-(5-chlorothiophen-2-yl)-4-methylphenyl]cyclopropane-1-carboxamide;2-[5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-1H-indol-3-yl]acetic acid;1-(1,3-benzodioxol-5-yl)-N-[3-(1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;N-[3-(4-methoxy-3,5-dimethylphenyl)-4-methylphenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen is COc1ccc(C2(C(=O)Nc3ccc(C)c(-c4cc(C)c(OC)c(C)c4)c3)CC2)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(Cl)s1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc2[nH]cc(CC(=O)O)c2c1.O=C(Nc1cccc(-c2ccc3[nH]ccc3c2)c1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[3-(5-chlorothiophen-2-yl)-4-methylphenyl]cyclopropane-1-carboxamide;2-[5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-1H-indol-3-yl]acetic acid;1-(1,3-benzodioxol-5-yl)-N-[3-(1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;N-[3-(4-methoxy-3,5-dimethylphenyl)-4-methylphenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is MENRBHDDDJHLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O5.C27H29NO3.C25H20N2O3.C22H18ClNO3S.4H2/c1-16-2-5-20(13-21(16)17-3-6-23-22(10-17)18(14-29-23)11-26(31)32)30-27(33)28(8-9-28)19-4-7-24-25(12-19)35-15-34-24;1-17-6-9-22(16-24(17)20-14-18(2)25(31-5)19(3)15-20)28-26(29)27(12-13-27)21-7-10-23(30-4)11-8-21;28-24(25(9-10-25)19-5-7-22-23(14-19)30-15-29-22)27-20-3-1-2-16(13-20)17-4-6-21-18(12-17)8-11-26-21;1-13-2-4-15(11-16(13)19-6-7-20(23)28-19)24-21(25)22(8-9-22)14-3-5-17-18(10-14)27-12-26-17;;;;/h2-7,10,12-14,29H,8-9,11,15H2,1H3,(H,30,33)(H,31,32);6-11,14-16H,12-13H2,1-5H3,(H,28,29);1-8,11-14,26H,9-10,15H2,(H,27,28);2-7,10-11H,8-9,12H2,1H3,(H,24,25);4*1H.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[3-(5-chlorothiophen-2-yl)-4-methylphenyl]cyclopropane-1-carboxamide;2-[5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-1H-indol-3-yl]acetic acid;1-(1,3-benzodioxol-5-yl)-N-[3-(1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;N-[3-(4-methoxy-3,5-dimethylphenyl)-4-methylphenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?
1-(1,3-benzodioxol-5-yl)-N-[3-(5-chlorothiophen-2-yl)-4-methylphenyl]cyclopropane-1-carboxamide;2-[5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-1H-indol-3-yl]acetic acid;1-(1,3-benzodioxol-5-yl)-N-[3-(1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;N-[3-(4-methoxy-3,5-dimethylphenyl)-4-methylphenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 1700.46 g/mol, XLogP of 23.13, 20 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[3-(5-chlorothiophen-2-yl)-4-methylphenyl]cyclopropane-1-carboxamide;2-[5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-1H-indol-3-yl]acetic acid;1-(1,3-benzodioxol-5-yl)-N-[3-(1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;N-[3-(4-methoxy-3,5-dimethylphenyl)-4-methylphenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 159543772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).