(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylpropanamide

C15H19N3OS — CID 2627561

IUPAC(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylpropanamide
SMILESC[C@H](Sc1nc2ccccc2[nH]1)C(=O)NC1CCCC1
InChIInChI=1S/C15H19N3OS/c1-10(14(19)16-11-6-2-3-7-11)20-15-17-12-8-4-5-9-13(12)18-15/h4-5,8-11H,2-3,6-7H2,1H3,(H,16,19)(H,17,18)/t10-/m0/s1
InChIKeyFGCXRWIQHOVAGA-JTQLQIEISA-N
MW289.40 g/mol
LogP3.10
Rot. Bonds4

About (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylpropanamide

(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylpropanamide (PubChem CID 2627561) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylpropanamide
PubChem CID2627561
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylpropanamide
SMILESC[C@H](Sc1nc2ccccc2[nH]1)C(=O)NC1CCCC1
InChIInChI=1S/C15H19N3OS/c1-10(14(19)16-11-6-2-3-7-11)20-15-17-12-8-4-5-9-13(12)18-15/h4-5,8-11H,2-3,6-7H2,1H3,(H,16,19)(H,17,18)/t10-/m0/s1
InChIKeyFGCXRWIQHOVAGA-JTQLQIEISA-N
XLogP3.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 2085547
N-cyclopentyl-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136686082
2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4817958
2-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 591299
2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide
CID 6500981
(2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 41037543
N-(cyclopentylcarbamoyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 17449953
N'-[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]benzohydrazide
CID 40520069
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(tert-butylcarbamoyl)propanamide
CID 40665072
(2R)-N-cyclohexyl-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 136807791
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]propanamide
CID 98408495
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-bromophenyl)propanamide
CID 7756095

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylpropanamide?
The IUPAC name of (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylpropanamide (CID 2627561) is (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylpropanamide.
What is the SMILES notation for (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylpropanamide?
The canonical SMILES for (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylpropanamide is C[C@H](Sc1nc2ccccc2[nH]1)C(=O)NC1CCCC1.
What is the InChIKey of (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylpropanamide?
The InChIKey is FGCXRWIQHOVAGA-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(14(19)16-11-6-2-3-7-11)20-15-17-12-8-4-5-9-13(12)18-15/h4-5,8-11H,2-3,6-7H2,1H3,(H,16,19)(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylpropanamide?
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylpropanamide has a molecular weight of 289.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylpropanamide is sourced from PubChem (CID 2627561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).