(2R)-N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide

C16H21N3OS — CID 2085547

IUPAC(2R)-N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
SMILESCc1ccc2nc(S[C@H](C)C(=O)NC3CCCC3)[nH]c2c1
InChIInChI=1S/C16H21N3OS/c1-10-7-8-13-14(9-10)19-16(18-13)21-11(2)15(20)17-12-5-3-4-6-12/h7-9,11-12H,3-6H2,1-2H3,(H,17,20)(H,18,19)/t11-/m1/s1
InChIKeyRQRVNIADFDPTFG-LLVKDONJSA-N
MW303.43 g/mol
LogP3.41
Rot. Bonds4

About (2R)-N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide

(2R)-N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide (PubChem CID 2085547) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
PubChem CID2085547
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name(2R)-N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
SMILESCc1ccc2nc(S[C@H](C)C(=O)NC3CCCC3)[nH]c2c1
InChIInChI=1S/C16H21N3OS/c1-10-7-8-13-14(9-10)19-16(18-13)21-11(2)15(20)17-12-5-3-4-6-12/h7-9,11-12H,3-6H2,1-2H3,(H,17,20)(H,18,19)/t11-/m1/s1
InChIKeyRQRVNIADFDPTFG-LLVKDONJSA-N
XLogP3.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylpropanamide
CID 2627561
N-cyclohexyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide
CID 25239359
(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
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 17380333
(2R)-N-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135905211
N-[2-(cyclohexen-1-yl)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 4814925
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 7247470
(2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136827673
N-cyclopentyl-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136686082
(2R)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-cyclohexylpropanamide
CID 41037874
N-(2-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 4216988

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide (CID 2085547) is (2R)-N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide is Cc1ccc2nc(S[C@H](C)C(=O)NC3CCCC3)[nH]c2c1.
What is the InChIKey of (2R)-N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide?
The InChIKey is RQRVNIADFDPTFG-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-10-7-8-13-14(9-10)19-16(18-13)21-11(2)15(20)17-12-5-3-4-6-12/h7-9,11-12H,3-6H2,1-2H3,(H,17,20)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide?
(2R)-N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide has a molecular weight of 303.43 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 2085547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).