N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide

C17H20N2O5S — CID 55583363

IUPACN-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
SMILESCOc1cccc(CNC(=O)c2cccc(NS(C)(=O)=O)c2)c1OC
InChIInChI=1S/C17H20N2O5S/c1-23-15-9-5-7-13(16(15)24-2)11-18-17(20)12-6-4-8-14(10-12)19-25(3,21)22/h4-10,19H,11H2,1-3H3,(H,18,20)
InChIKeySTODPKYFSOSYSD-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.01
Rot. Bonds7

About N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide

N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide (PubChem CID 55583363) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
PubChem CID55583363
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
SMILESCOc1cccc(CNC(=O)c2cccc(NS(C)(=O)=O)c2)c1OC
InChIInChI=1S/C17H20N2O5S/c1-23-15-9-5-7-13(16(15)24-2)11-18-17(20)12-6-4-8-14(10-12)19-25(3,21)22/h4-10,19H,11H2,1-3H3,(H,18,20)
InChIKeySTODPKYFSOSYSD-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

N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 18112138
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide
CID 9164278
N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 38001059
3-(ethylsulfonylamino)-N-[(2-methoxyphenyl)methyl]benzamide
CID 25348432
1-[3-(methanesulfonamido)phenyl]-3-[(2-methoxyphenyl)methyl]urea
CID 38215828
methyl N-[4-[[[3-(methanesulfonamido)benzoyl]amino]methyl]phenyl]carbamate
CID 55846947
N-[(2,3-dimethoxyphenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide
CID 22588087
4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylsulfamoyl)benzamide
CID 55595810
N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55583046
3-benzamido-N-[(2,3-dimethoxyphenyl)methyl]-4-methylbenzamide
CID 46410283
N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide
CID 33457615
N-(3,5-dimethoxyphenyl)-3-(methanesulfonamido)benzamide
CID 18106096

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide (CID 55583363) is N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide is COc1cccc(CNC(=O)c2cccc(NS(C)(=O)=O)c2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide?
The InChIKey is STODPKYFSOSYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-23-15-9-5-7-13(16(15)24-2)11-18-17(20)12-6-4-8-14(10-12)19-25(3,21)22/h4-10,19H,11H2,1-3H3,(H,18,20).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide?
N-[(2,3-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-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 55583363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).