3-(dimethylsulfamoyl)-4,5-dimethyl-N-(4-methylsulfanylphenyl)benzamide

C18H22N2O3S2 — CID 42370271

IUPAC3-(dimethylsulfamoyl)-4,5-dimethyl-N-(4-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-12-10-14(11-17(13(12)2)25(22,23)20(3)4)18(21)19-15-6-8-16(24-5)9-7-15/h6-11H,1-5H3,(H,19,21)
InChIKeyPCWAGERBBGAOAX-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.53
Rot. Bonds5

About 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(4-methylsulfanylphenyl)benzamide

3-(dimethylsulfamoyl)-4,5-dimethyl-N-(4-methylsulfanylphenyl)benzamide (PubChem CID 42370271) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(4-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4,5-dimethyl-N-(4-methylsulfanylphenyl)benzamide
PubChem CID42370271
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name3-(dimethylsulfamoyl)-4,5-dimethyl-N-(4-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-12-10-14(11-17(13(12)2)25(22,23)20(3)4)18(21)19-15-6-8-16(24-5)9-7-15/h6-11H,1-5H3,(H,19,21)
InChIKeyPCWAGERBBGAOAX-UHFFFAOYSA-N
XLogP3.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 34273541
3-(dimethylsulfamoyl)-N-(3-ethynylphenyl)-4,5-dimethylbenzamide
CID 51337793
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 26701226
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 39131564
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2,3,4-trifluorophenyl)benzamide
CID 30272949
N-(5-acetamido-2-chlorophenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 55917241
N-(4-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 26701236
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(1-methylpyrazol-3-yl)benzamide
CID 51237996
methyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate
CID 110295930
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-(4-methylsulfanylphenyl)benzamide
CID 27365356
N-(5-chloro-2-pyridinyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 34136281
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 99614970

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(4-methylsulfanylphenyl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(4-methylsulfanylphenyl)benzamide (CID 42370271) is 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(4-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(4-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(4-methylsulfanylphenyl)benzamide is CSc1ccc(NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(4-methylsulfanylphenyl)benzamide?
The InChIKey is PCWAGERBBGAOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-12-10-14(11-17(13(12)2)25(22,23)20(3)4)18(21)19-15-6-8-16(24-5)9-7-15/h6-11H,1-5H3,(H,19,21).
What are the key properties of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(4-methylsulfanylphenyl)benzamide?
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(4-methylsulfanylphenyl)benzamide has a molecular weight of 378.52 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(4-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 42370271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).