N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-(3-morpholin-4-yl-3-oxopropyl)indole-6-carboxamide

C38H44N4O7S — CID 15013784

IUPACN-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-(3-morpholin-4-yl-3-oxopropyl)indole-6-carboxamide
SMILESCOc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cn1cc(CCC(=O)N2CCOCC2)c2ccc(C(=O)NCC3CCCC3)cc21
InChIInChI=1S/C38H44N4O7S/c1-26-7-3-6-10-35(26)50(46,47)40-38(45)29-11-12-31(34(22-29)48-2)25-42-24-30(14-16-36(43)41-17-19-49-20-18-41)32-15-13-28(21-33(32)42)37(44)39-23-27-8-4-5-9-27/h3,6-7,10-13,15,21-22,24,27H,4-5,8-9,14,16-20,23,25H2,1-2H3,(H,39,44)(H,40,45)
InChIKeyYSKROIVBTJWFHE-UHFFFAOYSA-N
MW700.86 g/mol
LogP4.84
Rot. Bonds12

About N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-(3-morpholin-4-yl-3-oxopropyl)indole-6-carboxamide

N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-(3-morpholin-4-yl-3-oxopropyl)indole-6-carboxamide (PubChem CID 15013784) has the molecular formula C38H44N4O7S and a molecular weight of 700.86 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-(3-morpholin-4-yl-3-oxopropyl)indole-6-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-(3-morpholin-4-yl-3-oxopropyl)indole-6-carboxamide
PubChem CID15013784
Molecular FormulaC38H44N4O7S
Molecular Weight700.86 g/mol
Exact Mass700.29
IUPAC NameN-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-(3-morpholin-4-yl-3-oxopropyl)indole-6-carboxamide
SMILESCOc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cn1cc(CCC(=O)N2CCOCC2)c2ccc(C(=O)NCC3CCCC3)cc21
InChIInChI=1S/C38H44N4O7S/c1-26-7-3-6-10-35(26)50(46,47)40-38(45)29-11-12-31(34(22-29)48-2)25-42-24-30(14-16-36(43)41-17-19-49-20-18-41)32-15-13-28(21-33(32)42)37(44)39-23-27-8-4-5-9-27/h3,6-7,10-13,15,21-22,24,27H,4-5,8-9,14,16-20,23,25H2,1-2H3,(H,39,44)(H,40,45)
InChIKeyYSKROIVBTJWFHE-UHFFFAOYSA-N
XLogP4.84
TPSA136.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500700.86
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-(3-morpholin-4-yl-3-oxopropyl)indole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Zafirlukast
CID 5717
Masilukast
CID 204056
LTD4 antagonist 1
CID 9986282
2-Cyclopentyl-N-{3-[2-methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1H-indol-5-yl}-acetamide
CID 14626857
cyclopentyl N-[1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indol-6-yl]carbamate
CID 14753014
{1-Diphenylcarbamoyl-3-[2-methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1H-indol-5-yl}-carbamic acid cyclopentyl ester
CID 9853580
cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-methylindol-5-yl]carbamate
CID 14626814
cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-(2-methoxyethyl)indol-5-yl]carbamate
CID 14626816
N-[3-(4-Benzenesulfonylaminocarbonyl-2-methoxy-benzyl)-1-methyl-1H-indol-5-yl]-2-cyclopentyl-acetamide
CID 14626819
2-Cyclopentyl-N-{3-[2-methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1-methyl-1H-indol-5-yl}-acetamide
CID 14626858
N-{4-[5-(3-Cyclopentyl-ureido)-1-methyl-1H-indol-3-ylmethyl]-3-methoxy-benzoyl}-2-methyl-benzenesulfonamide
CID 14626863
N-(4-[6-(2-cyclopentylacetamido)indol-1-ylmethyl]-3-methoxybenzoyl)benzenesulphonamide
CID 14753021

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-(3-morpholin-4-yl-3-oxopropyl)indole-6-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-(3-morpholin-4-yl-3-oxopropyl)indole-6-carboxamide (CID 15013784) is N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-(3-morpholin-4-yl-3-oxopropyl)indole-6-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-(3-morpholin-4-yl-3-oxopropyl)indole-6-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-(3-morpholin-4-yl-3-oxopropyl)indole-6-carboxamide is COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cn1cc(CCC(=O)N2CCOCC2)c2ccc(C(=O)NCC3CCCC3)cc21.
What is the InChIKey of N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-(3-morpholin-4-yl-3-oxopropyl)indole-6-carboxamide?
The InChIKey is YSKROIVBTJWFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44N4O7S/c1-26-7-3-6-10-35(26)50(46,47)40-38(45)29-11-12-31(34(22-29)48-2)25-42-24-30(14-16-36(43)41-17-19-49-20-18-41)32-15-13-28(21-33(32)42)37(44)39-23-27-8-4-5-9-27/h3,6-7,10-13,15,21-22,24,27H,4-5,8-9,14,16-20,23,25H2,1-2H3,(H,39,44)(H,40,45).
What are the key properties of N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-(3-morpholin-4-yl-3-oxopropyl)indole-6-carboxamide?
N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-(3-morpholin-4-yl-3-oxopropyl)indole-6-carboxamide has a molecular weight of 700.86 g/mol, XLogP of 4.84, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-(3-morpholin-4-yl-3-oxopropyl)indole-6-carboxamide is sourced from PubChem (CID 15013784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).