N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide

C19H22N2O4S — CID 8967371

IUPACN-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2cccc(CS(C)(=O)=O)c2)cc1
InChIInChI=1S/C19H22N2O4S/c1-20-18(22)16-9-7-14(8-10-16)12-21(2)19(23)17-6-4-5-15(11-17)13-26(3,24)25/h4-11H,12-13H2,1-3H3,(H,20,22)
InChIKeyNTPAJFLBQBZAPX-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.86
Rot. Bonds6

About N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide

N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide (PubChem CID 8967371) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide
PubChem CID8967371
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2cccc(CS(C)(=O)=O)c2)cc1
InChIInChI=1S/C19H22N2O4S/c1-20-18(22)16-9-7-14(8-10-16)12-21(2)19(23)17-6-4-5-15(11-17)13-26(3,24)25/h4-11H,12-13H2,1-3H3,(H,20,22)
InChIKeyNTPAJFLBQBZAPX-UHFFFAOYSA-N
XLogP1.86
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[benzoyl(methyl)amino]methyl]-N-methylbenzamide
CID 170263663
3-(benzenesulfonamido)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 38745291
N-methyl-3-(methylsulfonylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 26973012
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide
CID 8964487
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 26722152
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 8966476
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-9H-fluorene-2-carboxamide
CID 38741293
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-methylsulfonyl-3-nitrobenzamide
CID 8965565
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide
CID 17478307
4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide
CID 51094891
N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 31987355
4-methoxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfamoyl)benzamide
CID 8966511

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide (CID 8967371) is N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide is CNC(=O)c1ccc(CN(C)C(=O)c2cccc(CS(C)(=O)=O)c2)cc1.
What is the InChIKey of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide?
The InChIKey is NTPAJFLBQBZAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-20-18(22)16-9-7-14(8-10-16)12-21(2)19(23)17-6-4-5-15(11-17)13-26(3,24)25/h4-11H,12-13H2,1-3H3,(H,20,22).
What are the key properties of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide?
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide has a molecular weight of 374.46 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 8967371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).