5-[[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide

C23H23N3O3S2 — CID 30088972

IUPAC5-[[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)s1
InChIInChI=1S/C23H23N3O3S2/c1-26(2)31(28,29)21-13-12-17(30-21)14-25-22(16-8-4-3-5-9-16)23(27)19-15-24-20-11-7-6-10-18(19)20/h3-13,15,22,24-25H,14H2,1-2H3/t22-/m1/s1
InChIKeyVFHAUGHIHBRWJM-JOCHJYFZSA-N
MW453.59 g/mol
LogP4.19
Rot. Bonds8

About 5-[[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide

5-[[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide (PubChem CID 30088972) has the molecular formula C23H23N3O3S2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 5-[[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide
PubChem CID30088972
Molecular FormulaC23H23N3O3S2
Molecular Weight453.59 g/mol
Exact Mass453.12
IUPAC Name5-[[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)s1
InChIInChI=1S/C23H23N3O3S2/c1-26(2)31(28,29)21-13-12-17(30-21)14-25-22(16-8-4-3-5-9-16)23(27)19-15-24-20-11-7-6-10-18(19)20/h3-13,15,22,24-25H,14H2,1-2H3/t22-/m1/s1
InChIKeyVFHAUGHIHBRWJM-JOCHJYFZSA-N
XLogP4.19
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide with MolForge

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Related Compounds

5-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24583404
(2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone
CID 9356665
2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 42916880
(2R)-1-(1H-indol-3-yl)-2-phenyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethanone
CID 31444734
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-[(1S)-3-methyl-1-phenylbutyl]urea
CID 36520315
(2R)-1-(1H-indol-3-yl)-2-[[(2S)-2-(4-methylphenyl)butyl]amino]-2-phenylethanone
CID 159861314
(2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone
CID 9356699
2-[[(2R)-2-(4-chlorophenyl)butyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 139422950
(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone
CID 158771523
(2S)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 9441385
1-(1H-indol-3-yl)-2-(3-methylsulfonylanilino)-2-phenylethanone
CID 86728635
N-[(5-methylthiophen-2-yl)methyl]-1H-indole-3-carboxamide
CID 47381407

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide?
The IUPAC name of 5-[[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide (CID 30088972) is 5-[[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for 5-[[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide?
The canonical SMILES for 5-[[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(CN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)s1.
What is the InChIKey of 5-[[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide?
The InChIKey is VFHAUGHIHBRWJM-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H23N3O3S2/c1-26(2)31(28,29)21-13-12-17(30-21)14-25-22(16-8-4-3-5-9-16)23(27)19-15-24-20-11-7-6-10-18(19)20/h3-13,15,22,24-25H,14H2,1-2H3/t22-/m1/s1.
What are the key properties of 5-[[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide?
5-[[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide has a molecular weight of 453.59 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 30088972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).