(2S)-N-(3-cyanothiophen-2-yl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide

C18H16N4O2S2 — CID 8941742

IUPAC(2S)-N-(3-cyanothiophen-2-yl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
SMILESCc1ccc(N2C(=O)CN=C2S[C@@H](C)C(=O)Nc2sccc2C#N)cc1
InChIInChI=1S/C18H16N4O2S2/c1-11-3-5-14(6-4-11)22-15(23)10-20-18(22)26-12(2)16(24)21-17-13(9-19)7-8-25-17/h3-8,12H,10H2,1-2H3,(H,21,24)/t12-/m0/s1
InChIKeyUJYWYWJQAISPLO-LBPRGKRZSA-N
MW384.49 g/mol
LogP3.39
Rot. Bonds4

About (2S)-N-(3-cyanothiophen-2-yl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide

(2S)-N-(3-cyanothiophen-2-yl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide (PubChem CID 8941742) has the molecular formula C18H16N4O2S2 and a molecular weight of 384.49 g/mol. Its IUPAC name is (2S)-N-(3-cyanothiophen-2-yl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-cyanothiophen-2-yl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
PubChem CID8941742
Molecular FormulaC18H16N4O2S2
Molecular Weight384.49 g/mol
Exact Mass384.07
IUPAC Name(2S)-N-(3-cyanothiophen-2-yl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
SMILESCc1ccc(N2C(=O)CN=C2S[C@@H](C)C(=O)Nc2sccc2C#N)cc1
InChIInChI=1S/C18H16N4O2S2/c1-11-3-5-14(6-4-11)22-15(23)10-20-18(22)26-12(2)16(24)21-17-13(9-19)7-8-25-17/h3-8,12H,10H2,1-2H3,(H,21,24)/t12-/m0/s1
InChIKeyUJYWYWJQAISPLO-LBPRGKRZSA-N
XLogP3.39
TPSA85.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-(3-cyanothiophen-2-yl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide 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

(2R)-N-(2,4-dimethylphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941534
(2R)-N-ethyl-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8638098
(2S)-N-(4-methoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941543
N'-[(2S)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanoyl]benzohydrazide
CID 9059948
(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
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941693
N-(3-cyanothiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 24577725
[(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8956616
(2S)-N-(3-cyanothiophen-2-yl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9306742
(2S)-N-(3-cyanothiophen-2-yl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8959640
(2S)-2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanothiophen-2-yl)propanamide
CID 41260227

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyanothiophen-2-yl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2S)-N-(3-cyanothiophen-2-yl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide (CID 8941742) is (2S)-N-(3-cyanothiophen-2-yl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-(3-cyanothiophen-2-yl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2S)-N-(3-cyanothiophen-2-yl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide is Cc1ccc(N2C(=O)CN=C2S[C@@H](C)C(=O)Nc2sccc2C#N)cc1.
What is the InChIKey of (2S)-N-(3-cyanothiophen-2-yl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide?
The InChIKey is UJYWYWJQAISPLO-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16N4O2S2/c1-11-3-5-14(6-4-11)22-15(23)10-20-18(22)26-12(2)16(24)21-17-13(9-19)7-8-25-17/h3-8,12H,10H2,1-2H3,(H,21,24)/t12-/m0/s1.
What are the key properties of (2S)-N-(3-cyanothiophen-2-yl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide?
(2S)-N-(3-cyanothiophen-2-yl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide has a molecular weight of 384.49 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyanothiophen-2-yl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 8941742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).