N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide

C17H19NO3S — CID 7668726

IUPACN-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2cccc(CS(C)(=O)=O)c2)c1
InChIInChI=1S/C17H19NO3S/c1-12-7-13(2)9-16(8-12)18-17(19)15-6-4-5-14(10-15)11-22(3,20)21/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyFUWWAKIKQUBMGP-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.10
Rot. Bonds4

About N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide

N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide (PubChem CID 7668726) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide
PubChem CID7668726
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2cccc(CS(C)(=O)=O)c2)c1
InChIInChI=1S/C17H19NO3S/c1-12-7-13(2)9-16(8-12)18-17(19)15-6-4-5-14(10-15)11-22(3,20)21/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyFUWWAKIKQUBMGP-UHFFFAOYSA-N
XLogP3.10
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667538
3-(cyanomethyl)-N-(3,5-dimethylphenyl)benzamide
CID 82179559
N-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667578
N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 26313396
3-(methylsulfonylmethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 9188162
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(methylsulfonylmethyl)benzamide
CID 55778199
N-(4-bromo-2-fluorophenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667525
3-(methylsulfonylmethyl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 55862321
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(methylsulfonylmethyl)benzamide
CID 55618945
3-(methylsulfonylmethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 9192718
methyl 4-methyl-3-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoate
CID 7669541
N-[2-(4-methylphenoxy)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 27669702

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide (CID 7668726) is N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide is Cc1cc(C)cc(NC(=O)c2cccc(CS(C)(=O)=O)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide?
The InChIKey is FUWWAKIKQUBMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-12-7-13(2)9-16(8-12)18-17(19)15-6-4-5-14(10-15)11-22(3,20)21/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide?
N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide has a molecular weight of 317.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 7668726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).