2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-pyrrolidin-1-ylethanone;N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide

C91H93Cl3N8O14S — CID 161407715

IUPAC2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-pyrrolidin-1-ylethanone;N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
SMILESCOc1ccc2c(c1)c(CC(=O)N(C)CCc1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(CC(=O)N1CCCC1)c(C)n2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(CC(=O)NCCc1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1.CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC1CCCCC1
InChIInChI=1S/C28H27ClN2O3.C27H25ClN2O3.C23H23ClN2O3.C13H18N2O5S/c1-19-24(18-27(32)30(2)16-15-20-7-5-4-6-8-20)25-17-23(34-3)13-14-26(25)31(19)28(33)21-9-11-22(29)12-10-21;1-18-23(17-26(31)29-15-14-19-6-4-3-5-7-19)24-16-22(33-2)12-13-25(24)30(18)27(32)20-8-10-21(28)11-9-20;1-15-19(14-22(27)25-11-3-4-12-25)20-13-18(29-2)9-10-21(20)26(15)23(28)16-5-7-17(24)8-6-16;1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h4-14,17H,15-16,18H2,1-3H3;3-13,16H,14-15,17H2,1-2H3,(H,29,31);5-10,13H,3-4,11-12,14H2,1-2H3;7-9,11,14H,2-6H2,1H3
InChIKeyVVBIIOKALZDBMY-UHFFFAOYSA-N
MW1661.21 g/mol
LogP17.89
Rot. Bonds23

About 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-pyrrolidin-1-ylethanone;N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-pyrrolidin-1-ylethanone;N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide (PubChem CID 161407715) has the molecular formula C91H93Cl3N8O14S and a molecular weight of 1661.21 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-pyrrolidin-1-ylethanone;N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-pyrrolidin-1-ylethanone;N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
PubChem CID161407715
Molecular FormulaC91H93Cl3N8O14S
Molecular Weight1661.21 g/mol
Exact Mass1658.56
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-pyrrolidin-1-ylethanone;N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
SMILESCOc1ccc2c(c1)c(CC(=O)N(C)CCc1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(CC(=O)N1CCCC1)c(C)n2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(CC(=O)NCCc1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1.CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC1CCCCC1
InChIInChI=1S/C28H27ClN2O3.C27H25ClN2O3.C23H23ClN2O3.C13H18N2O5S/c1-19-24(18-27(32)30(2)16-15-20-7-5-4-6-8-20)25-17-23(34-3)13-14-26(25)31(19)28(33)21-9-11-22(29)12-10-21;1-18-23(17-26(31)29-15-14-19-6-4-3-5-7-19)24-16-22(33-2)12-13-25(24)30(18)27(32)20-8-10-21(28)11-9-20;1-15-19(14-22(27)25-11-3-4-12-25)20-13-18(29-2)9-10-21(20)26(15)23(28)16-5-7-17(24)8-6-16;1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h4-14,17H,15-16,18H2,1-3H3;3-13,16H,14-15,17H2,1-2H3,(H,29,31);5-10,13H,3-4,11-12,14H2,1-2H3;7-9,11,14H,2-6H2,1H3
InChIKeyVVBIIOKALZDBMY-UHFFFAOYSA-N
XLogP17.89
TPSA261.95 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001661.21
LogP ≤ 517.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-pyrrolidin-1-ylethanone;N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide with MolForge

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Related Compounds

N-carbamoyl-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)-N-[(4-methylphenyl)carbamoyl]acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)-N-[(4-nitrophenyl)carbamoyl]acetamide
CID 90698443
2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyacetic acid;N-(4-nitro-2-phenoxyphenyl)methanesulfonamide
CID 117938218
N-carbamoyl-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)-N-[(4-methylphenyl)carbamoyl]acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-nitrophenyl)-N-[(4-nitrophenyl)carbamoyl]acetamide;methane
CID 158882184
2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide
CID 159354195
2-(1-benzoyl-2-methylindol-3-yl)-N-[3-(dimethylamino)propyl]acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-chlorobenzoyl)-2-methylindol-3-yl]acetamide
CID 159459239
4-[1-(4-chlorobenzoyl)-3-ethyl-5-methoxyindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one;3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-methylsulfonylpropanamide
CID 159984437

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-pyrrolidin-1-ylethanone;N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-pyrrolidin-1-ylethanone;N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide (CID 161407715) is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-pyrrolidin-1-ylethanone;N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-pyrrolidin-1-ylethanone;N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-pyrrolidin-1-ylethanone;N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide is COc1ccc2c(c1)c(CC(=O)N(C)CCc1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(CC(=O)N1CCCC1)c(C)n2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(CC(=O)NCCc1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1.CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC1CCCCC1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-pyrrolidin-1-ylethanone;N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide?
The InChIKey is VVBIIOKALZDBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN2O3.C27H25ClN2O3.C23H23ClN2O3.C13H18N2O5S/c1-19-24(18-27(32)30(2)16-15-20-7-5-4-6-8-20)25-17-23(34-3)13-14-26(25)31(19)28(33)21-9-11-22(29)12-10-21;1-18-23(17-26(31)29-15-14-19-6-4-3-5-7-19)24-16-22(33-2)12-13-25(24)30(18)27(32)20-8-10-21(28)11-9-20;1-15-19(14-22(27)25-11-3-4-12-25)20-13-18(29-2)9-10-21(20)26(15)23(28)16-5-7-17(24)8-6-16;1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h4-14,17H,15-16,18H2,1-3H3;3-13,16H,14-15,17H2,1-2H3,(H,29,31);5-10,13H,3-4,11-12,14H2,1-2H3;7-9,11,14H,2-6H2,1H3.
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-pyrrolidin-1-ylethanone;N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide?
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-pyrrolidin-1-ylethanone;N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide has a molecular weight of 1661.21 g/mol, XLogP of 17.89, 23 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-phenylethyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-pyrrolidin-1-ylethanone;N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 161407715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).