N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide

C16H18N2O3S — CID 41465640

IUPACN,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1
InChIInChI=1S/C16H18N2O3S/c1-11-4-7-14(8-5-11)22(20,21)18-15-9-6-13(10-12(15)2)16(19)17-3/h4-10,18H,1-3H3,(H,17,19)
InChIKeyUJOZFAOYXYEVFK-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.46
Rot. Bonds4

About N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide

N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 41465640) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID41465640
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1
InChIInChI=1S/C16H18N2O3S/c1-11-4-7-14(8-5-11)22(20,21)18-15-9-6-13(10-12(15)2)16(19)17-3/h4-10,18H,1-3H3,(H,17,19)
InChIKeyUJOZFAOYXYEVFK-UHFFFAOYSA-N
XLogP2.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062594
4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 169371323
N-(2,6-dichlorophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062806
N,3-dimethyl-4-(sulfamoylamino)benzamide
CID 112573608
N-[1-(2,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770080
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 94016012
N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 132670931
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide
CID 3680171
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068
N-[(4-methoxyphenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062773
3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)benzamide
CID 19062794
methyl 3-[[3-methyl-4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 19061768

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 41465640) is N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide is CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1.
What is the InChIKey of N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is UJOZFAOYXYEVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11-4-7-14(8-5-11)22(20,21)18-15-9-6-13(10-12(15)2)16(19)17-3/h4-10,18H,1-3H3,(H,17,19).
What are the key properties of N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 318.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 41465640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).