5-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide

C25H27N3O3S2 — CID 24583404

IUPAC5-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide
SMILESCCc1cccc2c(C(=O)C(NCc3ccc(S(=O)(=O)N(C)C)s3)c3ccccc3)c[nH]c12
InChIInChI=1S/C25H27N3O3S2/c1-4-17-11-8-12-20-21(16-27-23(17)20)25(29)24(18-9-6-5-7-10-18)26-15-19-13-14-22(32-19)33(30,31)28(2)3/h5-14,16,24,26-27H,4,15H2,1-3H3
InChIKeyHWOZWAKSDHZCED-UHFFFAOYSA-N
MW481.64 g/mol
LogP4.76
Rot. Bonds9

About 5-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide

5-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide (PubChem CID 24583404) has the molecular formula C25H27N3O3S2 and a molecular weight of 481.64 g/mol. Its IUPAC name is 5-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide
PubChem CID24583404
Molecular FormulaC25H27N3O3S2
Molecular Weight481.64 g/mol
Exact Mass481.15
IUPAC Name5-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide
SMILESCCc1cccc2c(C(=O)C(NCc3ccc(S(=O)(=O)N(C)C)s3)c3ccccc3)c[nH]c12
InChIInChI=1S/C25H27N3O3S2/c1-4-17-11-8-12-20-21(16-27-23(17)20)25(29)24(18-9-6-5-7-10-18)26-15-19-13-14-22(32-19)33(30,31)28(2)3/h5-14,16,24,26-27H,4,15H2,1-3H3
InChIKeyHWOZWAKSDHZCED-UHFFFAOYSA-N
XLogP4.76
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.64
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 30088972
1-(7-ethyl-1H-indol-3-yl)-2-[(4-methylphenyl)methylamino]-2-phenylethanone
CID 4851610
2-(butylamino)-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone
CID 4849520
N-[2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]acetamide
CID 4826075
N-[5-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]-2-methoxyphenyl]methanesulfonamide
CID 55571935
(2S)-2-benzylsulfanyl-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone
CID 7599064
(2S)-2-cyclopentylsulfanyl-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone
CID 7599104
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-[(1S)-3-methyl-1-phenylbutyl]urea
CID 36520315
[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-methylbenzoate
CID 7718003
2-[2-[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 51645649
2-(7-ethyl-1H-indol-3-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 86904188
[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-phenylpropanoate
CID 7654657

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide?
The IUPAC name of 5-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide (CID 24583404) is 5-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for 5-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide?
The canonical SMILES for 5-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide is CCc1cccc2c(C(=O)C(NCc3ccc(S(=O)(=O)N(C)C)s3)c3ccccc3)c[nH]c12.
What is the InChIKey of 5-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide?
The InChIKey is HWOZWAKSDHZCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S2/c1-4-17-11-8-12-20-21(16-27-23(17)20)25(29)24(18-9-6-5-7-10-18)26-15-19-13-14-22(32-19)33(30,31)28(2)3/h5-14,16,24,26-27H,4,15H2,1-3H3.
What are the key properties of 5-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide?
5-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide has a molecular weight of 481.64 g/mol, XLogP of 4.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 24583404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).