4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanoic acid

C17H24N2O5S — CID 4105190

IUPAC4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanoic acid
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)O)ccc21
InChIInChI=1S/C17H24N2O5S/c1-4-16(20)19-8-7-12-10-13(5-6-15(12)19)25(23,24)18-14(17(21)22)9-11(2)3/h5-6,10-11,14,18H,4,7-9H2,1-3H3,(H,21,22)
InChIKeyHXRFVAWKAYKEQL-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.76
Rot. Bonds7

About 4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanoic acid

4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanoic acid (PubChem CID 4105190) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanoic acid
PubChem CID4105190
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanoic acid
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)O)ccc21
InChIInChI=1S/C17H24N2O5S/c1-4-16(20)19-8-7-12-10-13(5-6-15(12)19)25(23,24)18-14(17(21)22)9-11(2)3/h5-6,10-11,14,18H,4,7-9H2,1-3H3,(H,21,22)
InChIKeyHXRFVAWKAYKEQL-UHFFFAOYSA-N
XLogP1.76
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclopentyl-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
CID 92661843
(2R)-N-cyclopentyl-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
CID 92661844
4-methyl-N-(1-phenylethyl)-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
CID 20856615
N-(3,5-dimethoxyphenyl)-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
CID 20856607
N-(3,4-dimethoxyphenyl)-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
CID 20856596
4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-pyridin-2-ylpentanamide
CID 126458274
(2S)-2-[(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)sulfonylamino]-4-methylpentanoic acid
CID 120968753
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
N-(4-ethylphenyl)-3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 20856638
N-[1-(3,4-dimethylphenyl)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 133184321
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-chlorophenyl)-4-methylpentanamide
CID 92661618

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanoic acid (CID 4105190) is 4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanoic acid is CCC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)O)ccc21.
What is the InChIKey of 4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanoic acid?
The InChIKey is HXRFVAWKAYKEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-4-16(20)19-8-7-12-10-13(5-6-15(12)19)25(23,24)18-14(17(21)22)9-11(2)3/h5-6,10-11,14,18H,4,7-9H2,1-3H3,(H,21,22).
What are the key properties of 4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanoic acid?
4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanoic acid has a molecular weight of 368.46 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 4105190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).