4-methyl-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide

C16H13N3OS — CID 3698321

IUPAC4-methyl-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nccc(-c3cccs3)n2)cc1
InChIInChI=1S/C16H13N3OS/c1-11-4-6-12(7-5-11)15(20)19-16-17-9-8-13(18-16)14-3-2-10-21-14/h2-10H,1H3,(H,17,18,19,20)
InChIKeyFVTGLNWXLAYOKW-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.77
Rot. Bonds3

About 4-methyl-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide

4-methyl-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide (PubChem CID 3698321) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 4-methyl-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide
PubChem CID3698321
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name4-methyl-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nccc(-c3cccs3)n2)cc1
InChIInChI=1S/C16H13N3OS/c1-11-4-6-12(7-5-11)15(20)19-16-17-9-8-13(18-16)14-3-2-10-21-14/h2-10H,1H3,(H,17,18,19,20)
InChIKeyFVTGLNWXLAYOKW-UHFFFAOYSA-N
XLogP3.77
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 7918509
4-methyl-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide
CID 7711079
4-methyl-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 751469
1-[(2R)-pentan-2-yl]-3-(4-thiophen-2-ylpyrimidin-2-yl)thiourea
CID 100561958
4-amino-N-(4-methylphenyl)-2-thiophen-2-ylpyrimidine-5-carboxamide
CID 83577651
4-(4-thiophen-2-ylpyrimidin-2-yl)aniline
CID 116899039
N-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidin-2-amine
CID 14346981
N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzamide
CID 3783171
2-[4-[(4-methylphenyl)methoxy]phenyl]-4-thiophen-2-ylpyrimidine
CID 3777504
methyl 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetate
CID 3804988
1-[(2R)-4-phenylbutan-2-yl]-3-(4-thiophen-2-ylpyrimidin-2-yl)thiourea
CID 100561998
N-(4,6-dithiophen-2-ylpyrimidin-2-yl)propanamide
CID 50940930

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide?
The IUPAC name of 4-methyl-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide (CID 3698321) is 4-methyl-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide?
The canonical SMILES for 4-methyl-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide is Cc1ccc(C(=O)Nc2nccc(-c3cccs3)n2)cc1.
What is the InChIKey of 4-methyl-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide?
The InChIKey is FVTGLNWXLAYOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-11-4-6-12(7-5-11)15(20)19-16-17-9-8-13(18-16)14-3-2-10-21-14/h2-10H,1H3,(H,17,18,19,20).
What are the key properties of 4-methyl-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide?
4-methyl-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide has a molecular weight of 295.37 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide is sourced from PubChem (CID 3698321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).