2,6-dimethoxy-N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzamide

C18H22N2O5S — CID 113094497

IUPAC2,6-dimethoxy-N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)N(C)c1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O5S/c1-19(13-9-11-14(12-10-13)20(2)26(5,22)23)18(21)17-15(24-3)7-6-8-16(17)25-4/h6-12H,1-5H3
InChIKeyKEZKIZOKYWVEJA-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.38
Rot. Bonds6

About 2,6-dimethoxy-N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzamide

2,6-dimethoxy-N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzamide (PubChem CID 113094497) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2,6-dimethoxy-N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzamide
PubChem CID113094497
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2,6-dimethoxy-N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)N(C)c1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O5S/c1-19(13-9-11-14(12-10-13)20(2)26(5,22)23)18(21)17-15(24-3)7-6-8-16(17)25-4/h6-12H,1-5H3
InChIKeyKEZKIZOKYWVEJA-UHFFFAOYSA-N
XLogP2.38
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 951576
N,2,2-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 113094478
N-(2-methoxyphenyl)-N-methylmethanesulfonamide
CID 61061885
N-(4-aminophenyl)-2,3-dimethoxy-N-methylbenzamide
CID 28894012
N-[3-(2-methoxyphenyl)propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133262053
N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
CID 126143054
2,6-dimethoxy-N-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 110723339
N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-2-(2-methylphenyl)acetamide
CID 113094525
2-[(2,6-dimethoxybenzoyl)-methylamino]propanoic acid
CID 55098642
[4-[methyl(methylsulfonyl)amino]phenyl] 3-methylbut-2-enoate
CID 47243595
N-(3-methoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133200135
N-[(4-fluorophenyl)methyl]-2-methoxy-5-[methyl(methylsulfonyl)amino]benzamide
CID 28560777

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzamide (CID 113094497) is 2,6-dimethoxy-N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzamide is COc1cccc(OC)c1C(=O)N(C)c1ccc(N(C)S(C)(=O)=O)cc1.
What is the InChIKey of 2,6-dimethoxy-N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The InChIKey is KEZKIZOKYWVEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-19(13-9-11-14(12-10-13)20(2)26(5,22)23)18(21)17-15(24-3)7-6-8-16(17)25-4/h6-12H,1-5H3.
What are the key properties of 2,6-dimethoxy-N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzamide?
2,6-dimethoxy-N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzamide has a molecular weight of 378.45 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzamide is sourced from PubChem (CID 113094497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).