(2R)-N-cyclopentyl-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide

C22H33N3O4S — CID 92661844

IUPAC(2R)-N-cyclopentyl-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NC3CCCC3)ccc21
InChIInChI=1S/C22H33N3O4S/c1-4-21(26)25-12-11-16-14-18(9-10-20(16)25)30(28,29)24-19(13-15(2)3)22(27)23-17-7-5-6-8-17/h9-10,14-15,17,19,24H,4-8,11-13H2,1-3H3,(H,23,27)/t19-/m1/s1
InChIKeyNKJWPOICCAHHLM-LJQANCHMSA-N
MW435.59 g/mol
LogP2.74
Rot. Bonds8

About (2R)-N-cyclopentyl-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide

(2R)-N-cyclopentyl-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide (PubChem CID 92661844) has the molecular formula C22H33N3O4S and a molecular weight of 435.59 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
PubChem CID92661844
Molecular FormulaC22H33N3O4S
Molecular Weight435.59 g/mol
Exact Mass435.22
IUPAC Name(2R)-N-cyclopentyl-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NC3CCCC3)ccc21
InChIInChI=1S/C22H33N3O4S/c1-4-21(26)25-12-11-16-14-18(9-10-20(16)25)30(28,29)24-19(13-15(2)3)22(27)23-17-7-5-6-8-17/h9-10,14-15,17,19,24H,4-8,11-13H2,1-3H3,(H,23,27)/t19-/m1/s1
InChIKeyNKJWPOICCAHHLM-LJQANCHMSA-N
XLogP2.74
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-cyclopentyl-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide with MolForge

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Related Compounds

(2S)-N-cyclopentyl-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
CID 92661843
4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanoic acid
CID 4105190
4-methyl-N-(1-phenylethyl)-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
CID 20856615
4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-pyridin-2-ylpentanamide
CID 126458274
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
(2R)-N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 124772413
1-acetyl-N-[(2S)-1-(azepan-1-yl)-4-methyl-1-oxopentan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 92661637
(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
N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 125059365
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methyl-N-(1-phenylethyl)pentanamide
CID 122175087

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide?
The IUPAC name of (2R)-N-cyclopentyl-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide (CID 92661844) is (2R)-N-cyclopentyl-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide.
What is the SMILES notation for (2R)-N-cyclopentyl-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide?
The canonical SMILES for (2R)-N-cyclopentyl-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide is CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NC3CCCC3)ccc21.
What is the InChIKey of (2R)-N-cyclopentyl-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide?
The InChIKey is NKJWPOICCAHHLM-LJQANCHMSA-N. The full InChI is InChI=1S/C22H33N3O4S/c1-4-21(26)25-12-11-16-14-18(9-10-20(16)25)30(28,29)24-19(13-15(2)3)22(27)23-17-7-5-6-8-17/h9-10,14-15,17,19,24H,4-8,11-13H2,1-3H3,(H,23,27)/t19-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide?
(2R)-N-cyclopentyl-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide has a molecular weight of 435.59 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide is sourced from PubChem (CID 92661844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).