N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-2-carboxamide

C29H33N5O4S2 — CID 59135631

IUPACN-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-2-carboxamide
SMILESCN(c1cccc2cc(C(=O)NCC(CN3CCOCC3)SCc3ccccc3)[nH]c12)S(=O)(=O)c1ccccn1
InChIInChI=1S/C29H33N5O4S2/c1-33(40(36,37)27-12-5-6-13-30-27)26-11-7-10-23-18-25(32-28(23)26)29(35)31-19-24(20-34-14-16-38-17-15-34)39-21-22-8-3-2-4-9-22/h2-13,18,24,32H,14-17,19-21H2,1H3,(H,31,35)
InChIKeyBYAHUXQALLIHTI-UHFFFAOYSA-N
MW579.75 g/mol
LogP3.75
Rot. Bonds11

About N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-2-carboxamide

N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-2-carboxamide (PubChem CID 59135631) has the molecular formula C29H33N5O4S2 and a molecular weight of 579.75 g/mol. Its IUPAC name is N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-2-carboxamide
PubChem CID59135631
Molecular FormulaC29H33N5O4S2
Molecular Weight579.75 g/mol
Exact Mass579.20
IUPAC NameN-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-2-carboxamide
SMILESCN(c1cccc2cc(C(=O)NCC(CN3CCOCC3)SCc3ccccc3)[nH]c12)S(=O)(=O)c1ccccn1
InChIInChI=1S/C29H33N5O4S2/c1-33(40(36,37)27-12-5-6-13-30-27)26-11-7-10-23-18-25(32-28(23)26)29(35)31-19-24(20-34-14-16-38-17-15-34)39-21-22-8-3-2-4-9-22/h2-13,18,24,32H,14-17,19-21H2,1H3,(H,31,35)
InChIKeyBYAHUXQALLIHTI-UHFFFAOYSA-N
XLogP3.75
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.75
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-2-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

N-[2-benzylsulfanyl-1-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-2-carboxamide
CID 90934570
N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-5-methyl-7-(methylamino)-1H-indole-2-carboxamide
CID 143661045
N-[2-benzylsulfanyl-3-(4-methylsulfonylpiperazin-1-yl)propyl]-7-(pyridin-2-ylsulfonylamino)-5-(3-sulfanylpropoxy)-1H-indole-2-carboxamide
CID 89040282
N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indole-2-carboxamide
CID 70860785
4-benzylsulfanyl-4-[[[7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carbonyl]amino]methyl]piperidine-1-carboxylic acid
CID 67486810
N-[2-[5-[(2,5-dihydroxypyrrol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
CID 90712311
N-(2-benzylsulfanyl-3,3-dimethoxypropyl)-5-(2-methoxyethoxy)-7-[methyl(pyridin-2-ylsulfonyl)amino]-2,3-dihydro-1H-indole-2-carboxamide
CID 89063213
N-methyl-N-[2-[5-[(3-oxopyrrolidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]pyridine-2-sulfonamide
CID 59135819
N-(2-methyl-3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 110444324
N-(2-benzylsulfanyl-3-methoxybutyl)-7-nitro-1H-indole-2-carboxamide
CID 70836204
N-(2-benzylsulfanyl-3,3-dimethoxypropyl)-4-methyl-7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide
CID 59135744
N-[2-[5-[(2-formylimidazol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
CID 89040289

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-2-carboxamide?
The IUPAC name of N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-2-carboxamide (CID 59135631) is N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-2-carboxamide is CN(c1cccc2cc(C(=O)NCC(CN3CCOCC3)SCc3ccccc3)[nH]c12)S(=O)(=O)c1ccccn1.
What is the InChIKey of N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-2-carboxamide?
The InChIKey is BYAHUXQALLIHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O4S2/c1-33(40(36,37)27-12-5-6-13-30-27)26-11-7-10-23-18-25(32-28(23)26)29(35)31-19-24(20-34-14-16-38-17-15-34)39-21-22-8-3-2-4-9-22/h2-13,18,24,32H,14-17,19-21H2,1H3,(H,31,35).
What are the key properties of N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-2-carboxamide?
N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-2-carboxamide has a molecular weight of 579.75 g/mol, XLogP of 3.75, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 59135631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).