1-acetyl-N-[4-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-2,3-dihydroindole-5-sulfonamide

C26H34N4O4S — CID 20856215

IUPAC1-acetyl-N-[4-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)N3CCN(c4ccccc4)CC3)ccc21
InChIInChI=1S/C26H34N4O4S/c1-19(2)17-24(26(32)29-15-13-28(14-16-29)22-7-5-4-6-8-22)27-35(33,34)23-9-10-25-21(18-23)11-12-30(25)20(3)31/h4-10,18-19,24,27H,11-17H2,1-3H3
InChIKeyWDQSUVSDPJSTRV-UHFFFAOYSA-N
MW498.65 g/mol
LogP2.64
Rot. Bonds7

About 1-acetyl-N-[4-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[4-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 20856215) has the molecular formula C26H34N4O4S and a molecular weight of 498.65 g/mol. Its IUPAC name is 1-acetyl-N-[4-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[4-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-2,3-dihydroindole-5-sulfonamide
PubChem CID20856215
Molecular FormulaC26H34N4O4S
Molecular Weight498.65 g/mol
Exact Mass498.23
IUPAC Name1-acetyl-N-[4-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)N3CCN(c4ccccc4)CC3)ccc21
InChIInChI=1S/C26H34N4O4S/c1-19(2)17-24(26(32)29-15-13-28(14-16-29)22-7-5-4-6-8-22)27-35(33,34)23-9-10-25-21(18-23)11-12-30(25)20(3)31/h4-10,18-19,24,27H,11-17H2,1-3H3
InChIKeyWDQSUVSDPJSTRV-UHFFFAOYSA-N
XLogP2.64
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.65
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-[(2S)-1-(azepan-1-yl)-4-methyl-1-oxopentan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 92661637
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methyl-N-(1-phenylethyl)pentanamide
CID 122175087
1-acetyl-N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 122175082
N-[(2S)-4-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 92707499
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-chlorophenyl)-4-methylpentanamide
CID 92661618
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-ethylphenyl)-4-methylpentanamide
CID 92661675
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-4-methylpentanamide
CID 92661669
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,3-dimethylphenyl)-4-methylpentanamide
CID 15996337
4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanoic acid
CID 4105190
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-methoxyphenyl)-4-methylpentanamide
CID 20856205
1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 85457192
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide
CID 92661671

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[4-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[4-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-2,3-dihydroindole-5-sulfonamide (CID 20856215) is 1-acetyl-N-[4-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[4-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[4-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)N3CCN(c4ccccc4)CC3)ccc21.
What is the InChIKey of 1-acetyl-N-[4-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is WDQSUVSDPJSTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4S/c1-19(2)17-24(26(32)29-15-13-28(14-16-29)22-7-5-4-6-8-22)27-35(33,34)23-9-10-25-21(18-23)11-12-30(25)20(3)31/h4-10,18-19,24,27H,11-17H2,1-3H3.
What are the key properties of 1-acetyl-N-[4-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[4-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 498.65 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[4-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 20856215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).