1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide

C20H24N2O3S — CID 85457192

IUPAC1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NC(C)CCc3ccccc3)ccc21
InChIInChI=1S/C20H24N2O3S/c1-15(8-9-17-6-4-3-5-7-17)21-26(24,25)19-10-11-20-18(14-19)12-13-22(20)16(2)23/h3-7,10-11,14-15,21H,8-9,12-13H2,1-2H3
InChIKeyRVPILZQKBPTAOV-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.90
Rot. Bonds6

About 1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 85457192) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide
PubChem CID85457192
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NC(C)CCc3ccccc3)ccc21
InChIInChI=1S/C20H24N2O3S/c1-15(8-9-17-6-4-3-5-7-17)21-26(24,25)19-10-11-20-18(14-19)12-13-22(20)16(2)23/h3-7,10-11,14-15,21H,8-9,12-13H2,1-2H3
InChIKeyRVPILZQKBPTAOV-UHFFFAOYSA-N
XLogP2.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 92661510
1-acetyl-N-[(2S)-4-(dimethylamino)butan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 95637329
1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60681169
1-acetyl-N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 122175082
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2-ethylphenyl)-3-phenylpropanamide
CID 20856180
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(3-methylphenyl)ethyl]-3-phenylpropanamide
CID 20856198
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methyl-N-(1-phenylethyl)pentanamide
CID 122175087
3-[[(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-phenylpropanoyl]amino]benzoic acid
CID 92661593
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957
1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 110671515
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-ethylphenyl)-4-methylpentanamide
CID 92661675
1-acetyl-N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113098326

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide (CID 85457192) is 1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)NC(C)CCc3ccccc3)ccc21.
What is the InChIKey of 1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is RVPILZQKBPTAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15(8-9-17-6-4-3-5-7-17)21-26(24,25)19-10-11-20-18(14-19)12-13-22(20)16(2)23/h3-7,10-11,14-15,21H,8-9,12-13H2,1-2H3.
What are the key properties of 1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 372.49 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 85457192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).