2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-cyclopentyl-3-methylbutanamide

C21H31N3O4S — CID 46274930

IUPAC2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-cyclopentyl-3-methylbutanamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NC(C(=O)NC3CCCC3)C(C)C)cc2CC1C
InChIInChI=1S/C21H31N3O4S/c1-13(2)20(21(26)22-17-7-5-6-8-17)23-29(27,28)18-9-10-19-16(12-18)11-14(3)24(19)15(4)25/h9-10,12-14,17,20,23H,5-8,11H2,1-4H3,(H,22,26)
InChIKeyKMPYXDVIOYXNPH-UHFFFAOYSA-N
MW421.56 g/mol
LogP2.35
Rot. Bonds6

About 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-cyclopentyl-3-methylbutanamide

2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-cyclopentyl-3-methylbutanamide (PubChem CID 46274930) has the molecular formula C21H31N3O4S and a molecular weight of 421.56 g/mol. Its IUPAC name is 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-cyclopentyl-3-methylbutanamide.

Molecular Properties

Compound Name2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-cyclopentyl-3-methylbutanamide
PubChem CID46274930
Molecular FormulaC21H31N3O4S
Molecular Weight421.56 g/mol
Exact Mass421.20
IUPAC Name2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-cyclopentyl-3-methylbutanamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NC(C(=O)NC3CCCC3)C(C)C)cc2CC1C
InChIInChI=1S/C21H31N3O4S/c1-13(2)20(21(26)22-17-7-5-6-8-17)23-29(27,28)18-9-10-19-16(12-18)11-14(3)24(19)15(4)25/h9-10,12-14,17,20,23H,5-8,11H2,1-4H3,(H,22,26)
InChIKeyKMPYXDVIOYXNPH-UHFFFAOYSA-N
XLogP2.35
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.56
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)-3-methylbutanamide
CID 20902080
(2R)-2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-methoxyphenyl)-3-methylbutanamide
CID 92705152
(2S)-2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-ethoxyphenyl)-3-methylbutanamide
CID 92705165
1-acetyl-N-(2-amino-1-cyclohexylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119983821
(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 97024862
1-acetyl-N-(1-amino-4-methylpentan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 119983377
N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide
CID 28737727
(2R)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 51593356
1-acetyl-2-methyl-N-(1-pyridin-2-ylpropan-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 46972299
(2S)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 51593354
1-acetyl-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 46970597
1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 51299300

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-cyclopentyl-3-methylbutanamide?
The IUPAC name of 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-cyclopentyl-3-methylbutanamide (CID 46274930) is 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-cyclopentyl-3-methylbutanamide.
What is the SMILES notation for 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-cyclopentyl-3-methylbutanamide?
The canonical SMILES for 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-cyclopentyl-3-methylbutanamide is CC(=O)N1c2ccc(S(=O)(=O)NC(C(=O)NC3CCCC3)C(C)C)cc2CC1C.
What is the InChIKey of 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-cyclopentyl-3-methylbutanamide?
The InChIKey is KMPYXDVIOYXNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4S/c1-13(2)20(21(26)22-17-7-5-6-8-17)23-29(27,28)18-9-10-19-16(12-18)11-14(3)24(19)15(4)25/h9-10,12-14,17,20,23H,5-8,11H2,1-4H3,(H,22,26).
What are the key properties of 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-cyclopentyl-3-methylbutanamide?
2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-cyclopentyl-3-methylbutanamide has a molecular weight of 421.56 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-cyclopentyl-3-methylbutanamide is sourced from PubChem (CID 46274930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).