N-(2-chlorophenyl)sulfonyl-4-[[5-(cyclopentylcarbamoylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzamide

C30H31ClN4O5S — CID 14626865

IUPACN-(2-chlorophenyl)sulfonyl-4-[[5-(cyclopentylcarbamoylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NS(=O)(=O)c2ccccc2Cl)ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCC3)cc12
InChIInChI=1S/C30H31ClN4O5S/c1-35-18-21(24-17-23(13-14-26(24)35)33-30(37)32-22-7-3-4-8-22)15-19-11-12-20(16-27(19)40-2)29(36)34-41(38,39)28-10-6-5-9-25(28)31/h5-6,9-14,16-18,22H,3-4,7-8,15H2,1-2H3,(H,34,36)(H2,32,33,37)
InChIKeyLRXDBHMSRBIJLN-UHFFFAOYSA-N
MW595.12 g/mol
LogP5.61
Rot. Bonds8

About N-(2-chlorophenyl)sulfonyl-4-[[5-(cyclopentylcarbamoylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzamide

N-(2-chlorophenyl)sulfonyl-4-[[5-(cyclopentylcarbamoylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzamide (PubChem CID 14626865) has the molecular formula C30H31ClN4O5S and a molecular weight of 595.12 g/mol. Its IUPAC name is N-(2-chlorophenyl)sulfonyl-4-[[5-(cyclopentylcarbamoylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)sulfonyl-4-[[5-(cyclopentylcarbamoylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzamide
PubChem CID14626865
Molecular FormulaC30H31ClN4O5S
Molecular Weight595.12 g/mol
Exact Mass594.17
IUPAC NameN-(2-chlorophenyl)sulfonyl-4-[[5-(cyclopentylcarbamoylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NS(=O)(=O)c2ccccc2Cl)ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCC3)cc12
InChIInChI=1S/C30H31ClN4O5S/c1-35-18-21(24-17-23(13-14-26(24)35)33-30(37)32-22-7-3-4-8-22)15-19-11-12-20(16-27(19)40-2)29(36)34-41(38,39)28-10-6-5-9-25(28)31/h5-6,9-14,16-18,22H,3-4,7-8,15H2,1-2H3,(H,34,36)(H2,32,33,37)
InChIKeyLRXDBHMSRBIJLN-UHFFFAOYSA-N
XLogP5.61
TPSA118.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.12
LogP ≤ 55.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

potassium cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate
CID 11181062
calcium cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate
CID 23365845
(1-deuteriocyclopentyl) N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate
CID 25192646
sodium;cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate;hydride
CID 173138650
[4-[2-[[4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoyl]sulfamoyl]phenyl]-2-methylbut-3-yn-2-yl] acetate
CID 67884075
3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindole-5-carboxylic acid
CID 15104475
cyclopentyl N-[1-methyl-3-[[2-methyl-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]indol-5-yl]carbamate
CID 123601293
3-methoxy-4-[(1-methylindol-3-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide
CID 91803930
[1-[2-[[4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoyl]sulfamoyl]phenyl]-4-methylpent-1-yn-3-yl] acetate
CID 19793620
(1-deuteriocyclopentyl) N-[3-[[4-[(2-methylphenyl)sulfonylcarbamoyl]-2-(trideuteriomethoxy)phenyl]methyl]-1-(trideuteriomethyl)indol-5-yl]carbamate
CID 25191140
(2,2,3,3,4,4,5,5-octadeuteriocyclopentyl) N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-(trideuteriomethyl)indol-5-yl]carbamate
CID 25191277
cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-(trideuteriomethyl)indol-5-yl]carbamate;cyclopentyl N-[3-[[2-methoxy-4-[[2-(trideuteriomethyl)phenyl]sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate;cyclopentyl N-[3-[[2-(trideuteriomethoxy)-4-[[2-(trideuteriomethyl)phenyl]sulfonylcarbamoyl]phenyl]methyl]-1-(trideuteriomethyl)indol-5-yl]carbamate;(1-deuteriocyclopentyl) N-[1-methyl-3-[[4-[(2-methylphenyl)sulfonylcarbamoyl]-2-(trideuteriomethoxy)phenyl]methyl]indol-5-yl]carbamate;(1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentyl) N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate;(1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentyl) N-[3-[[2-(trideuteriomethoxy)-4-[[2-(trideuteriomethyl)phenyl]sulfonylcarbamoyl]phenyl]methyl]-1-(trideuteriomethyl)indol-5-yl]carbamate
CID 160607404

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)sulfonyl-4-[[5-(cyclopentylcarbamoylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzamide?
The IUPAC name of N-(2-chlorophenyl)sulfonyl-4-[[5-(cyclopentylcarbamoylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzamide (CID 14626865) is N-(2-chlorophenyl)sulfonyl-4-[[5-(cyclopentylcarbamoylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-(2-chlorophenyl)sulfonyl-4-[[5-(cyclopentylcarbamoylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-(2-chlorophenyl)sulfonyl-4-[[5-(cyclopentylcarbamoylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzamide is COc1cc(C(=O)NS(=O)(=O)c2ccccc2Cl)ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCC3)cc12.
What is the InChIKey of N-(2-chlorophenyl)sulfonyl-4-[[5-(cyclopentylcarbamoylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzamide?
The InChIKey is LRXDBHMSRBIJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN4O5S/c1-35-18-21(24-17-23(13-14-26(24)35)33-30(37)32-22-7-3-4-8-22)15-19-11-12-20(16-27(19)40-2)29(36)34-41(38,39)28-10-6-5-9-25(28)31/h5-6,9-14,16-18,22H,3-4,7-8,15H2,1-2H3,(H,34,36)(H2,32,33,37).
What are the key properties of N-(2-chlorophenyl)sulfonyl-4-[[5-(cyclopentylcarbamoylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzamide?
N-(2-chlorophenyl)sulfonyl-4-[[5-(cyclopentylcarbamoylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzamide has a molecular weight of 595.12 g/mol, XLogP of 5.61, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)sulfonyl-4-[[5-(cyclopentylcarbamoylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 14626865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).