N-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide

C17H19NO5S — CID 27667578

IUPACN-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(CS(C)(=O)=O)c2)cc1OC
InChIInChI=1S/C17H19NO5S/c1-22-15-8-7-14(10-16(15)23-2)18-17(19)13-6-4-5-12(9-13)11-24(3,20)21/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyYJWRISGCIZSOTI-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.50
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide

N-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide (PubChem CID 27667578) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide
PubChem CID27667578
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(CS(C)(=O)=O)c2)cc1OC
InChIInChI=1S/C17H19NO5S/c1-22-15-8-7-14(10-16(15)23-2)18-17(19)13-6-4-5-12(9-13)11-24(3,20)21/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyYJWRISGCIZSOTI-UHFFFAOYSA-N
XLogP2.50
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(methylsulfonylmethyl)benzamide
CID 55618945
N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 7668726
N-(4-bromo-3-methylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667538
3-(benzenesulfonylmethyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]benzamide
CID 55827287
N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 26313396
3-(methoxymethyl)-N-(4-methoxy-3-sulfamoylphenyl)benzamide
CID 9378793
3-(methylsulfonylmethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 9188162
5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46488415
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(methylsulfonylmethyl)benzamide
CID 55778199
N-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 26695042
3-N-cyclopropyl-1-N-(3,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109050802
N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 822743

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide (CID 27667578) is N-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide is COc1ccc(NC(=O)c2cccc(CS(C)(=O)=O)c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide?
The InChIKey is YJWRISGCIZSOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-22-15-8-7-14(10-16(15)23-2)18-17(19)13-6-4-5-12(9-13)11-24(3,20)21/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide?
N-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide has a molecular weight of 349.41 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 27667578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).