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

C15H19N3O2S — CID 8638098

IUPAC(2R)-N-ethyl-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
SMILESCCNC(=O)[C@@H](C)SC1=NCC(=O)N1c1ccc(C)cc1
InChIInChI=1S/C15H19N3O2S/c1-4-16-14(20)11(3)21-15-17-9-13(19)18(15)12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3,(H,16,20)/t11-/m1/s1
InChIKeyYWAUBTBWRGWLPD-LLVKDONJSA-N
MW305.40 g/mol
LogP1.96
Rot. Bonds4

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

(2R)-N-ethyl-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide (PubChem CID 8638098) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is (2R)-N-ethyl-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-ethyl-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
PubChem CID8638098
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name(2R)-N-ethyl-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
SMILESCCNC(=O)[C@@H](C)SC1=NCC(=O)N1c1ccc(C)cc1
InChIInChI=1S/C15H19N3O2S/c1-4-16-14(20)11(3)21-15-17-9-13(19)18(15)12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3,(H,16,20)/t11-/m1/s1
InChIKeyYWAUBTBWRGWLPD-LLVKDONJSA-N
XLogP1.96
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(2S)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanoyl]benzohydrazide
CID 9059948
(2R)-N-(2,4-dimethylphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941534
(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-(3,4-dimethoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941661
(2S)-N-(3-cyanothiophen-2-yl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941742
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941693
1-(4-methylphenyl)-2-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanyl-4H-imidazol-5-one
CID 8638042
(2S)-N-ethyl-2-phenylsulfanylpropanamide
CID 875325
(2R)-N-(2-chlorophenyl)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941150
1-(4-methylphenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4H-imidazol-5-one
CID 8562674
(3R)-1-[2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-3-carboxamide
CID 8562723

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2R)-N-ethyl-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide (CID 8638098) is (2R)-N-ethyl-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-ethyl-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2R)-N-ethyl-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide is CCNC(=O)[C@@H](C)SC1=NCC(=O)N1c1ccc(C)cc1.
What is the InChIKey of (2R)-N-ethyl-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide?
The InChIKey is YWAUBTBWRGWLPD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-4-16-14(20)11(3)21-15-17-9-13(19)18(15)12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3,(H,16,20)/t11-/m1/s1.
What are the key properties of (2R)-N-ethyl-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide?
(2R)-N-ethyl-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide has a molecular weight of 305.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 8638098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).