(2S)-N-(3-cyanothiophen-2-yl)-2-[(2-methylphenyl)methylsulfanyl]propanamide

C16H16N2OS2 — CID 8972326

IUPAC(2S)-N-(3-cyanothiophen-2-yl)-2-[(2-methylphenyl)methylsulfanyl]propanamide
SMILESCc1ccccc1CS[C@@H](C)C(=O)Nc1sccc1C#N
InChIInChI=1S/C16H16N2OS2/c1-11-5-3-4-6-14(11)10-21-12(2)15(19)18-16-13(9-17)7-8-20-16/h3-8,12H,10H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyULIDRRKVRQQZPE-LBPRGKRZSA-N
MW316.45 g/mol
LogP4.19
Rot. Bonds5

About (2S)-N-(3-cyanothiophen-2-yl)-2-[(2-methylphenyl)methylsulfanyl]propanamide

(2S)-N-(3-cyanothiophen-2-yl)-2-[(2-methylphenyl)methylsulfanyl]propanamide (PubChem CID 8972326) has the molecular formula C16H16N2OS2 and a molecular weight of 316.45 g/mol. Its IUPAC name is (2S)-N-(3-cyanothiophen-2-yl)-2-[(2-methylphenyl)methylsulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-cyanothiophen-2-yl)-2-[(2-methylphenyl)methylsulfanyl]propanamide
PubChem CID8972326
Molecular FormulaC16H16N2OS2
Molecular Weight316.45 g/mol
Exact Mass316.07
IUPAC Name(2S)-N-(3-cyanothiophen-2-yl)-2-[(2-methylphenyl)methylsulfanyl]propanamide
SMILESCc1ccccc1CS[C@@H](C)C(=O)Nc1sccc1C#N
InChIInChI=1S/C16H16N2OS2/c1-11-5-3-4-6-14(11)10-21-12(2)15(19)18-16-13(9-17)7-8-20-16/h3-8,12H,10H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyULIDRRKVRQQZPE-LBPRGKRZSA-N
XLogP4.19
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(3-cyanothiophen-2-yl)-2-[(2-methylphenyl)methylsulfanyl]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

N-(3-cyanothiophen-2-yl)-2-methylbenzamide
CID 7192349
(2S)-N-(3-cyanophenyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide
CID 7654903
(2S)-N-(3-cyanothiophen-2-yl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9306742
2-amino-N-(3-cyanothiophen-2-yl)-4-methylpentanamide
CID 61258756
[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(2-cyanophenyl)benzoate
CID 9309854
2-amino-N-(3-cyanothiophen-2-yl)-3-phenylpropanamide
CID 61258574
(2R)-2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanothiophen-2-yl)propanamide
CID 8539017
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate
CID 7806413
2-amino-N-(3-cyanothiophen-2-yl)pentanamide
CID 61259478
[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate
CID 8565163
(2R)-N-(3-cyanothiophen-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 8006101
2-[(2-cyanophenyl)methylsulfanyl]propanoic acid
CID 24691574

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyanothiophen-2-yl)-2-[(2-methylphenyl)methylsulfanyl]propanamide?
The IUPAC name of (2S)-N-(3-cyanothiophen-2-yl)-2-[(2-methylphenyl)methylsulfanyl]propanamide (CID 8972326) is (2S)-N-(3-cyanothiophen-2-yl)-2-[(2-methylphenyl)methylsulfanyl]propanamide.
What is the SMILES notation for (2S)-N-(3-cyanothiophen-2-yl)-2-[(2-methylphenyl)methylsulfanyl]propanamide?
The canonical SMILES for (2S)-N-(3-cyanothiophen-2-yl)-2-[(2-methylphenyl)methylsulfanyl]propanamide is Cc1ccccc1CS[C@@H](C)C(=O)Nc1sccc1C#N.
What is the InChIKey of (2S)-N-(3-cyanothiophen-2-yl)-2-[(2-methylphenyl)methylsulfanyl]propanamide?
The InChIKey is ULIDRRKVRQQZPE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16N2OS2/c1-11-5-3-4-6-14(11)10-21-12(2)15(19)18-16-13(9-17)7-8-20-16/h3-8,12H,10H2,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-N-(3-cyanothiophen-2-yl)-2-[(2-methylphenyl)methylsulfanyl]propanamide?
(2S)-N-(3-cyanothiophen-2-yl)-2-[(2-methylphenyl)methylsulfanyl]propanamide has a molecular weight of 316.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyanothiophen-2-yl)-2-[(2-methylphenyl)methylsulfanyl]propanamide is sourced from PubChem (CID 8972326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).