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

C18H22N2O5S — CID 18112138

IUPACN-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
SMILESCOc1cccc(CN(C)C(=O)c2cccc(NS(C)(=O)=O)c2)c1OC
InChIInChI=1S/C18H22N2O5S/c1-20(12-14-8-6-10-16(24-2)17(14)25-3)18(21)13-7-5-9-15(11-13)19-26(4,22)23/h5-11,19H,12H2,1-4H3
InChIKeyBUOUDHVOPAGFGV-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.35
Rot. Bonds7

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

N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide (PubChem CID 18112138) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
PubChem CID18112138
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
SMILESCOc1cccc(CN(C)C(=O)c2cccc(NS(C)(=O)=O)c2)c1OC
InChIInChI=1S/C18H22N2O5S/c1-20(12-14-8-6-10-16(24-2)17(14)25-3)18(21)13-7-5-9-15(11-13)19-26(4,22)23/h5-11,19H,12H2,1-4H3
InChIKeyBUOUDHVOPAGFGV-UHFFFAOYSA-N
XLogP2.35
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 55583363
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 7718898
N-[(2,3-dimethoxyphenyl)methyl]-3-(ethylsulfamoyl)-N-methylbenzamide
CID 36544729
N-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 31144744
N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
CID 7936275
3-(methanesulfonamido)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 18117006
N-[(2,3-dimethoxyphenyl)methyl]-4-[(2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide
CID 27786521
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylamino)-N-methylsulfonylbenzamide
CID 3684406
3-(methanesulfonamido)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 24673390
N-[3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 18113327
3-(4-benzylpiperazin-1-yl)sulfonyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 25161597

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide (CID 18112138) is N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide is COc1cccc(CN(C)C(=O)c2cccc(NS(C)(=O)=O)c2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide?
The InChIKey is BUOUDHVOPAGFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-20(12-14-8-6-10-16(24-2)17(14)25-3)18(21)13-7-5-9-15(11-13)19-26(4,22)23/h5-11,19H,12H2,1-4H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide?
N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide has a molecular weight of 378.45 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide is sourced from PubChem (CID 18112138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).