N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylamino)-N-methylsulfonylbenzamide

C19H24N2O5S — CID 3684406

IUPACN-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylamino)-N-methylsulfonylbenzamide
SMILESCOc1cccc(CN(C(=O)c2cccc(N(C)C)c2)S(C)(=O)=O)c1OC
InChIInChI=1S/C19H24N2O5S/c1-20(2)16-10-6-8-14(12-16)19(22)21(27(5,23)24)13-15-9-7-11-17(25-3)18(15)26-4/h6-12H,13H2,1-5H3
InChIKeyBREFQSPZJBVPLU-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.37
Rot. Bonds7

About N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylamino)-N-methylsulfonylbenzamide

N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylamino)-N-methylsulfonylbenzamide (PubChem CID 3684406) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylamino)-N-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylamino)-N-methylsulfonylbenzamide
PubChem CID3684406
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylamino)-N-methylsulfonylbenzamide
SMILESCOc1cccc(CN(C(=O)c2cccc(N(C)C)c2)S(C)(=O)=O)c1OC
InChIInChI=1S/C19H24N2O5S/c1-20(2)16-10-6-8-14(12-16)19(22)21(27(5,23)24)13-15-9-7-11-17(25-3)18(15)26-4/h6-12H,13H2,1-5H3
InChIKeyBREFQSPZJBVPLU-UHFFFAOYSA-N
XLogP2.37
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide
CID 3871785
N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 18112138
3-[(2,3-dimethoxyphenyl)methyl-[(2-methoxyphenyl)methyl]amino]benzoic acid
CID 10250817
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 7718898
3-(dimethylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 47078427
N-[(2,3-dimethoxyphenyl)methyl]-3-(ethylsulfamoyl)-N-methylbenzamide
CID 36544729
N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
CID 7936275
(2,3-dimethoxyphenyl)methanesulfonic acid
CID 174487670
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
3-(4-benzylpiperazin-1-yl)sulfonyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 25161597
5-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 18112110
4-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 18112118

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylamino)-N-methylsulfonylbenzamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylamino)-N-methylsulfonylbenzamide (CID 3684406) is N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylamino)-N-methylsulfonylbenzamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylamino)-N-methylsulfonylbenzamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylamino)-N-methylsulfonylbenzamide is COc1cccc(CN(C(=O)c2cccc(N(C)C)c2)S(C)(=O)=O)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylamino)-N-methylsulfonylbenzamide?
The InChIKey is BREFQSPZJBVPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-20(2)16-10-6-8-14(12-16)19(22)21(27(5,23)24)13-15-9-7-11-17(25-3)18(15)26-4/h6-12H,13H2,1-5H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylamino)-N-methylsulfonylbenzamide?
N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylamino)-N-methylsulfonylbenzamide has a molecular weight of 392.48 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylamino)-N-methylsulfonylbenzamide is sourced from PubChem (CID 3684406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).