1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methyl-1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-(2,3-dihydro-1H-indol-5-yl)-4-methylphenyl]ethanone;N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen

C82H89F2N5O11S — CID 160606430

About 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methyl-1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-(2,3-dihydro-1H-indol-5-yl)-4-methylphenyl]ethanone;N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methyl-1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-(2,3-dihydro-1H-indol-5-yl)-4-methylphenyl]ethanone;N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 160606430) has the molecular formula C82H89F2N5O11S and a molecular weight of 1390.70 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methyl-1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-(2,3-dihydro-1H-indol-5-yl)-4-methylphenyl]ethanone;N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methyl-1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-(2,3-dihydro-1H-indol-5-yl)-4-methylphenyl]ethanone;N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 160606430
• Molecular Formula: C82H89F2N5O11S
• Molecular Weight: 1390.70 g/mol
• Exact Mass: 1389.62
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methyl-1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-(2,3-dihydro-1H-indol-5-yl)-4-methylphenyl]ethanone;N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: COc1cccc(C2(C(=O)Nc3cccc(-c4ccc(S(=O)(=O)N5CCC[C@@H]5CO)cc4)c3)CC2)c1.Cc1cc2cc(-c3cc(NC(=O)C4(c5ccc6c(c5)OCO6)CC4)ccc3C)ccc2[nH]1.Cc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)cc1-c1ccc2c(c1)CCN2.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C28H30N2O5S.C27H23F2NO3.C27H24N2O3.6H2/c1-35-25-9-3-6-22(18-25)28(14-15-28)27(32)29-23-7-2-5-21(17-23)20-10-12-26(13-11-20)36(33,34)30-16-4-8-24(30)19-31;1-16-2-3-17(12-21(16)18-4-6-22-19(14-18)8-11-30-22)13-25(31)26(9-10-26)20-5-7-23-24(15-20)33-27(28,29)32-23;1-16-3-6-21(14-22(16)18-4-7-23-19(12-18)11-17(2)28-23)29-26(30)27(9-10-27)20-5-8-24-25(13-20)32-15-31-24;;;;;;/h2-3,5-7,9-13,17-18,24,31H,4,8,14-16,19H2,1H3,(H,29,32);2-7,12,14-15,30H,8-11,13H2,1H3;3-8,11-14,28H,9-10,15H2,1-2H3,(H,29,30);6*1H/t24-;;;;;;;;/m1......../s1
• InChIKey: REXVKMOOEHVIQW-LBAKLGMSSA-N
• XLogP: 17.30
• TPSA: 206.85 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1390.70
LogP ≤ 5	17.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methyl-1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-(2,3-dihydro-1H-indol-5-yl)-4-methylphenyl]ethanone;N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methyl-1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-(2,3-dihydro-1H-indol-5-yl)-4-methylphenyl]ethanone;N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen (CID 160606430) is 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methyl-1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-(2,3-dihydro-1H-indol-5-yl)-4-methylphenyl]ethanone;N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methyl-1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-(2,3-dihydro-1H-indol-5-yl)-4-methylphenyl]ethanone;N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methyl-1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-(2,3-dihydro-1H-indol-5-yl)-4-methylphenyl]ethanone;N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen is COc1cccc(C2(C(=O)Nc3cccc(-c4ccc(S(=O)(=O)N5CCC[C@@H]5CO)cc4)c3)CC2)c1.Cc1cc2cc(-c3cc(NC(=O)C4(c5ccc6c(c5)OCO6)CC4)ccc3C)ccc2[nH]1.Cc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)cc1-c1ccc2c(c1)CCN2.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methyl-1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-(2,3-dihydro-1H-indol-5-yl)-4-methylphenyl]ethanone;N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is REXVKMOOEHVIQW-LBAKLGMSSA-N. The full InChI is InChI=1S/C28H30N2O5S.C27H23F2NO3.C27H24N2O3.6H2/c1-35-25-9-3-6-22(18-25)28(14-15-28)27(32)29-23-7-2-5-21(17-23)20-10-12-26(13-11-20)36(33,34)30-16-4-8-24(30)19-31;1-16-2-3-17(12-21(16)18-4-6-22-19(14-18)8-11-30-22)13-25(31)26(9-10-26)20-5-7-23-24(15-20)33-27(28,29)32-23;1-16-3-6-21(14-22(16)18-4-7-23-19(12-18)11-17(2)28-23)29-26(30)27(9-10-27)20-5-8-24-25(13-20)32-15-31-24;;;;;;/h2-3,5-7,9-13,17-18,24,31H,4,8,14-16,19H2,1H3,(H,29,32);2-7,12,14-15,30H,8-11,13H2,1H3;3-8,11-14,28H,9-10,15H2,1-2H3,(H,29,30);6*1H/t24-;;;;;;;;/m1......../s1.

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methyl-1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-(2,3-dihydro-1H-indol-5-yl)-4-methylphenyl]ethanone;N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methyl-1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-(2,3-dihydro-1H-indol-5-yl)-4-methylphenyl]ethanone;N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 1390.70 g/mol, XLogP of 17.30, 17 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methyl-1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-(2,3-dihydro-1H-indol-5-yl)-4-methylphenyl]ethanone;N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 160606430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).