N-(3-cyanophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide

C15H14N4OS — CID 62268560

IUPACN-(3-cyanophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide
SMILESCc1ccnc(SC(C)C(=O)Nc2cccc(C#N)c2)n1
InChIInChI=1S/C15H14N4OS/c1-10-6-7-17-15(18-10)21-11(2)14(20)19-13-5-3-4-12(8-13)9-16/h3-8,11H,1-2H3,(H,19,20)
InChIKeySNMGLXFNTYSABQ-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.78
Rot. Bonds4

About N-(3-cyanophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide

N-(3-cyanophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide (PubChem CID 62268560) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide
PubChem CID62268560
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-(3-cyanophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide
SMILESCc1ccnc(SC(C)C(=O)Nc2cccc(C#N)c2)n1
InChIInChI=1S/C15H14N4OS/c1-10-6-7-17-15(18-10)21-11(2)14(20)19-13-5-3-4-12(8-13)9-16/h3-8,11H,1-2H3,(H,19,20)
InChIKeySNMGLXFNTYSABQ-UHFFFAOYSA-N
XLogP2.78
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-cyanophenyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7818172
(2S)-N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 40529318
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3-cyanophenyl)propanamide
CID 51319472
(2S)-N-(3-acetamidophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 41417263
N-(3-amino-4-chlorophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 62268721
N-(3-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78452550
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide
CID 976741
(2S)-N-(3-cyanophenyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide
CID 7654903
N-(3-cyanophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 17459603
(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-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 78797006
(2S)-2-[(4-cyano-2-pyridinyl)sulfanyl]-N-(4-methylsulfanylphenyl)propanamide
CID 129370832

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(3-cyanophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide (CID 62268560) is N-(3-cyanophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide is Cc1ccnc(SC(C)C(=O)Nc2cccc(C#N)c2)n1.
What is the InChIKey of N-(3-cyanophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide?
The InChIKey is SNMGLXFNTYSABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-10-6-7-17-15(18-10)21-11(2)14(20)19-13-5-3-4-12(8-13)9-16/h3-8,11H,1-2H3,(H,19,20).
What are the key properties of N-(3-cyanophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide?
N-(3-cyanophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide has a molecular weight of 298.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 62268560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).