(2R)-N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-2-phenylacetamide

C21H21N3O2S — CID 40654553

IUPAC(2R)-N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-2-phenylacetamide
SMILESCOc1ccc(-n2ccnc2S[C@@H](C(=O)NC2CC2)c2ccccc2)cc1
InChIInChI=1S/C21H21N3O2S/c1-26-18-11-9-17(10-12-18)24-14-13-22-21(24)27-19(15-5-3-2-4-6-15)20(25)23-16-7-8-16/h2-6,9-14,16,19H,7-8H2,1H3,(H,23,25)/t19-/m1/s1
InChIKeyPVVXZYUAZWPLQZ-LJQANCHMSA-N
MW379.49 g/mol
LogP3.99
Rot. Bonds7

About (2R)-N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-2-phenylacetamide

(2R)-N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-2-phenylacetamide (PubChem CID 40654553) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-2-phenylacetamide
PubChem CID40654553
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name(2R)-N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-2-phenylacetamide
SMILESCOc1ccc(-n2ccnc2S[C@@H](C(=O)NC2CC2)c2ccccc2)cc1
InChIInChI=1S/C21H21N3O2S/c1-26-18-11-9-17(10-12-18)24-14-13-22-21(24)27-19(15-5-3-2-4-6-15)20(25)23-16-7-8-16/h2-6,9-14,16,19H,7-8H2,1H3,(H,23,25)/t19-/m1/s1
InChIKeyPVVXZYUAZWPLQZ-LJQANCHMSA-N
XLogP3.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 40790131
N-cyclopropyl-2-phenyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 42944870
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N,2-diphenylacetamide
CID 18285524
(2S)-N-(cyclohexylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40730777
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide
CID 46812280
(2S)-N-cyclopropyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 26387733
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-methylpropanamide
CID 37286849
N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide
CID 71898774
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)propanamide
CID 41082545
(2R)-2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenylacetamide
CID 41156113
N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 16601843
N-cyclohexyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51270186

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-2-phenylacetamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-2-phenylacetamide (CID 40654553) is (2R)-N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-2-phenylacetamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-2-phenylacetamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-2-phenylacetamide is COc1ccc(-n2ccnc2S[C@@H](C(=O)NC2CC2)c2ccccc2)cc1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-2-phenylacetamide?
The InChIKey is PVVXZYUAZWPLQZ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-26-18-11-9-17(10-12-18)24-14-13-22-21(24)27-19(15-5-3-2-4-6-15)20(25)23-16-7-8-16/h2-6,9-14,16,19H,7-8H2,1H3,(H,23,25)/t19-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-2-phenylacetamide?
(2R)-N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-2-phenylacetamide has a molecular weight of 379.49 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-2-phenylacetamide is sourced from PubChem (CID 40654553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).