N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide

C17H20N2O5S — CID 38001059

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1OC
InChIInChI=1S/C17H20N2O5S/c1-23-15-8-7-12(9-16(15)24-2)11-18-17(20)13-5-4-6-14(10-13)19-25(3,21)22/h4-10,19H,11H2,1-3H3,(H,18,20)
InChIKeyARLUXNCKNQAQGV-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.01
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide

N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide (PubChem CID 38001059) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
PubChem CID38001059
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1OC
InChIInChI=1S/C17H20N2O5S/c1-23-15-8-7-12(9-16(15)24-2)11-18-17(20)13-5-4-6-14(10-13)19-25(3,21)22/h4-10,19H,11H2,1-3H3,(H,18,20)
InChIKeyARLUXNCKNQAQGV-UHFFFAOYSA-N
XLogP2.01
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[4-[[[3-(methanesulfonamido)benzoyl]amino]methyl]phenyl]carbamate
CID 55846947
N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 55583363
N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide
CID 43397926
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 92671439
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 82545918
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
1-N-butyl-3-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051107
3-(methanesulfonamido)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 24599016
3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 9470765
3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109050721
4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 23087734
4-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 49021544

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide (CID 38001059) is N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide is COc1ccc(CNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide?
The InChIKey is ARLUXNCKNQAQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-23-15-8-7-12(9-16(15)24-2)11-18-17(20)13-5-4-6-14(10-13)19-25(3,21)22/h4-10,19H,11H2,1-3H3,(H,18,20).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide?
N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide has a molecular weight of 364.42 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 38001059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).