(2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide

C21H27N3OS — CID 40670039

IUPAC(2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide
SMILESCc1nc(S[C@H](C(=O)NC2CC2)c2ccccc2)n(C2CCCC2)c1C
InChIInChI=1S/C21H27N3OS/c1-14-15(2)24(18-10-6-7-11-18)21(22-14)26-19(16-8-4-3-5-9-16)20(25)23-17-12-13-17/h3-5,8-9,17-19H,6-7,10-13H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeySBVSSHQHPHNDKJ-IBGZPJMESA-N
MW369.53 g/mol
LogP4.73
Rot. Bonds6

About (2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide

(2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide (PubChem CID 40670039) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is (2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide
PubChem CID40670039
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC Name(2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide
SMILESCc1nc(S[C@H](C(=O)NC2CC2)c2ccccc2)n(C2CCCC2)c1C
InChIInChI=1S/C21H27N3OS/c1-14-15(2)24(18-10-6-7-11-18)21(22-14)26-19(16-8-4-3-5-9-16)20(25)23-17-12-13-17/h3-5,8-9,17-19H,6-7,10-13H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeySBVSSHQHPHNDKJ-IBGZPJMESA-N
XLogP4.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide?
The IUPAC name of (2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide (CID 40670039) is (2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide.
What is the SMILES notation for (2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide?
The canonical SMILES for (2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide is Cc1nc(S[C@H](C(=O)NC2CC2)c2ccccc2)n(C2CCCC2)c1C.
What is the InChIKey of (2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide?
The InChIKey is SBVSSHQHPHNDKJ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N3OS/c1-14-15(2)24(18-10-6-7-11-18)21(22-14)26-19(16-8-4-3-5-9-16)20(25)23-17-12-13-17/h3-5,8-9,17-19H,6-7,10-13H2,1-2H3,(H,23,25)/t19-/m0/s1.
What are the key properties of (2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide?
(2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide has a molecular weight of 369.53 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide is sourced from PubChem (CID 40670039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).