N-[(2-methylpyrimidin-4-yl)methyl]-2-methylsulfonylbenzamide

C14H15N3O3S — CID 60537589

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-2-methylsulfonylbenzamide
SMILESCc1nccc(CNC(=O)c2ccccc2S(C)(=O)=O)n1
InChIInChI=1S/C14H15N3O3S/c1-10-15-8-7-11(17-10)9-16-14(18)12-5-3-4-6-13(12)21(2,19)20/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyDDBNYGMNAAJWLV-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.12
Rot. Bonds4

About N-[(2-methylpyrimidin-4-yl)methyl]-2-methylsulfonylbenzamide

N-[(2-methylpyrimidin-4-yl)methyl]-2-methylsulfonylbenzamide (PubChem CID 60537589) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-2-methylsulfonylbenzamide
PubChem CID60537589
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-2-methylsulfonylbenzamide
SMILESCc1nccc(CNC(=O)c2ccccc2S(C)(=O)=O)n1
InChIInChI=1S/C14H15N3O3S/c1-10-15-8-7-11(17-10)9-16-14(18)12-5-3-4-6-13(12)21(2,19)20/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyDDBNYGMNAAJWLV-UHFFFAOYSA-N
XLogP1.12
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2-methylpyrimidin-4-yl)methylamino]-2-oxoethyl]benzoic acid
CID 115923726
3-fluoro-2-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 62660449
N,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide
CID 62749644
2-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]-3-nitrobenzamide
CID 103749147
2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 4670957
4-chloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 81226586
4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 81243134
2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 61138716
N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 7959595
N-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide
CID 34166968
4-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 81255907
N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfonylbenzamide
CID 86820820

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-2-methylsulfonylbenzamide?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-2-methylsulfonylbenzamide (CID 60537589) is N-[(2-methylpyrimidin-4-yl)methyl]-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-2-methylsulfonylbenzamide?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-2-methylsulfonylbenzamide is Cc1nccc(CNC(=O)c2ccccc2S(C)(=O)=O)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-2-methylsulfonylbenzamide?
The InChIKey is DDBNYGMNAAJWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-10-15-8-7-11(17-10)9-16-14(18)12-5-3-4-6-13(12)21(2,19)20/h3-8H,9H2,1-2H3,(H,16,18).
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-2-methylsulfonylbenzamide?
N-[(2-methylpyrimidin-4-yl)methyl]-2-methylsulfonylbenzamide has a molecular weight of 305.36 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-2-methylsulfonylbenzamide is sourced from PubChem (CID 60537589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).