(2S)-N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide

C14H14N4OS — CID 40529318

IUPAC(2S)-N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
SMILESC[C@H](Sc1nccn1C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C14H14N4OS/c1-10(20-14-16-6-7-18(14)2)13(19)17-12-5-3-4-11(8-12)9-15/h3-8,10H,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeyAQOGFOWOQIGWKL-JTQLQIEISA-N
MW286.36 g/mol
LogP2.41
Rot. Bonds4

About (2S)-N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide

(2S)-N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide (PubChem CID 40529318) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is (2S)-N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
PubChem CID40529318
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name(2S)-N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
SMILESC[C@H](Sc1nccn1C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C14H14N4OS/c1-10(20-14-16-6-7-18(14)2)13(19)17-12-5-3-4-11(8-12)9-15/h3-8,10H,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeyAQOGFOWOQIGWKL-JTQLQIEISA-N
XLogP2.41
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide 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-(3-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 40529142
(2S)-2-(1-methylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)propanamide
CID 40529199
N-(3-cyanophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 62268560
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3-cyanophenyl)propanamide
CID 51319472
4-[[(2S)-2-(1-methylimidazol-2-yl)sulfanylpropanoyl]amino]benzamide
CID 40608634
2-chloro-5-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoic acid
CID 23830355
(2R)-N-(3-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7808581
N-(3-cyanophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 17459603
N-(3-cyanophenyl)-2-imidazol-1-ylpropanamide
CID 43176832
(2S)-2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(3-cyanophenyl)propanamide
CID 9274086
N-(3-cyanophenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide
CID 46648435
(2R)-N-(3-cyanophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7455672

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide (CID 40529318) is (2S)-N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide is C[C@H](Sc1nccn1C)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of (2S)-N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide?
The InChIKey is AQOGFOWOQIGWKL-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14N4OS/c1-10(20-14-16-6-7-18(14)2)13(19)17-12-5-3-4-11(8-12)9-15/h3-8,10H,1-2H3,(H,17,19)/t10-/m0/s1.
What are the key properties of (2S)-N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide?
(2S)-N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide has a molecular weight of 286.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 40529318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).