4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide

C25H25N3O3S — CID 139422932

IUPAC4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide
SMILESCc1ccc2c(C(=O)[C@@H](NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc3)c[nH]c2c1
InChIInChI=1S/C25H25N3O3S/c1-17-7-12-21-22(16-28-23(21)15-17)25(29)24(19-5-3-2-4-6-19)27-14-13-18-8-10-20(11-9-18)32(26,30)31/h2-12,15-16,24,27-28H,13-14H2,1H3,(H2,26,30,31)/t24-/m0/s1
InChIKeySNYVXYBALKPAIH-DEOSSOPVSA-N
MW447.56 g/mol
LogP3.88
Rot. Bonds8

About 4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide

4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide (PubChem CID 139422932) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is 4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide
PubChem CID139422932
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC Name4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide
SMILESCc1ccc2c(C(=O)[C@@H](NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc3)c[nH]c2c1
InChIInChI=1S/C25H25N3O3S/c1-17-7-12-21-22(16-28-23(21)15-17)25(29)24(19-5-3-2-4-6-19)27-14-13-18-8-10-20(11-9-18)32(26,30)31/h2-12,15-16,24,27-28H,13-14H2,1H3,(H2,26,30,31)/t24-/m0/s1
InChIKeySNYVXYBALKPAIH-DEOSSOPVSA-N
XLogP3.88
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide with MolForge

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Related Compounds

N-[(2R)-2-hydroxypropyl]-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide
CID 160969332
1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]pyrrolidin-2-one
CID 159421118
(2R)-1-[6-(1-ethylpyrazol-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone
CID 159919528
(2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 92509537
N-(2,5-dimethylphenyl)-2-phenyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 4848816
3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-N-(2-pyrrolidin-1-ylethyl)-1H-indole-6-carboxamide
CID 158666863
(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone
CID 139422927
(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenyl-1-(6-pyridin-4-yl-1H-indol-3-yl)ethanone
CID 139423104
(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 158771521
bis(3-methyl-1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one);bis(3-methyl-1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one);(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(pyrrolidine-1-carbonyl)-1H-indol-3-yl]ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(pyrrolidine-1-carbonyl)-1H-indol-3-yl]ethanone
CID 160921808
3-[2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetyl]-N-propan-2-yl-1H-indole-6-carboxamide
CID 139423180
3-[(2S)-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetyl]-N-propan-2-yl-1H-indole-6-carboxamide
CID 139422982

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide (CID 139422932) is 4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide is Cc1ccc2c(C(=O)[C@@H](NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc3)c[nH]c2c1.
What is the InChIKey of 4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide?
The InChIKey is SNYVXYBALKPAIH-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-17-7-12-21-22(16-28-23(21)15-17)25(29)24(19-5-3-2-4-6-19)27-14-13-18-8-10-20(11-9-18)32(26,30)31/h2-12,15-16,24,27-28H,13-14H2,1H3,(H2,26,30,31)/t24-/m0/s1.
What are the key properties of 4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide?
4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide has a molecular weight of 447.56 g/mol, XLogP of 3.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 139422932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).