(2R)-N-(3-chloro-4-methoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide

C20H20ClN3O3S — CID 8941693

IUPAC(2R)-N-(3-chloro-4-methoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)SC2=NCC(=O)N2c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C20H20ClN3O3S/c1-12-4-7-15(8-5-12)24-18(25)11-22-20(24)28-13(2)19(26)23-14-6-9-17(27-3)16(21)10-14/h4-10,13H,11H2,1-3H3,(H,23,26)/t13-/m1/s1
InChIKeyGGLDIZODJSCUBW-CYBMUJFWSA-N
MW417.92 g/mol
LogP4.12
Rot. Bonds5

About (2R)-N-(3-chloro-4-methoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide

(2R)-N-(3-chloro-4-methoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide (PubChem CID 8941693) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is (2R)-N-(3-chloro-4-methoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-4-methoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
PubChem CID8941693
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC Name(2R)-N-(3-chloro-4-methoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)SC2=NCC(=O)N2c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C20H20ClN3O3S/c1-12-4-7-15(8-5-12)24-18(25)11-22-20(24)28-13(2)19(26)23-14-6-9-17(27-3)16(21)10-14/h4-10,13H,11H2,1-3H3,(H,23,26)/t13-/m1/s1
InChIKeyGGLDIZODJSCUBW-CYBMUJFWSA-N
XLogP4.12
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3,4-dimethoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941661
(2S)-N-(4-methoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941543
(2R)-N-(3-fluorophenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941554
(2R)-N-ethyl-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8638098
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8554371
(2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 7743521
N-(3-chloro-4-methoxyphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 43022541
(2S)-N-(3-cyanothiophen-2-yl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941742
(2R)-N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide
CID 92881984
(2S)-N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide
CID 92881985
(2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 8941350
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 8936694

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-4-methoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2R)-N-(3-chloro-4-methoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide (CID 8941693) is (2R)-N-(3-chloro-4-methoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(3-chloro-4-methoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(3-chloro-4-methoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide is COc1ccc(NC(=O)[C@@H](C)SC2=NCC(=O)N2c2ccc(C)cc2)cc1Cl.
What is the InChIKey of (2R)-N-(3-chloro-4-methoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide?
The InChIKey is GGLDIZODJSCUBW-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-12-4-7-15(8-5-12)24-18(25)11-22-20(24)28-13(2)19(26)23-14-6-9-17(27-3)16(21)10-14/h4-10,13H,11H2,1-3H3,(H,23,26)/t13-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-4-methoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide?
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide has a molecular weight of 417.92 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-4-methoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 8941693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).