3-(dimethylsulfamoyl)-N-(3-ethynylphenyl)-4,5-dimethylbenzamide

C19H20N2O3S — CID 51337793

IUPAC3-(dimethylsulfamoyl)-N-(3-ethynylphenyl)-4,5-dimethylbenzamide
SMILESC#Cc1cccc(NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C19H20N2O3S/c1-6-15-8-7-9-17(11-15)20-19(22)16-10-13(2)14(3)18(12-16)25(23,24)21(4)5/h1,7-12H,2-5H3,(H,20,22)
InChIKeyLYWXTMBDBUAPKQ-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.79
Rot. Bonds4

About 3-(dimethylsulfamoyl)-N-(3-ethynylphenyl)-4,5-dimethylbenzamide

3-(dimethylsulfamoyl)-N-(3-ethynylphenyl)-4,5-dimethylbenzamide (PubChem CID 51337793) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(3-ethynylphenyl)-4,5-dimethylbenzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(3-ethynylphenyl)-4,5-dimethylbenzamide
PubChem CID51337793
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name3-(dimethylsulfamoyl)-N-(3-ethynylphenyl)-4,5-dimethylbenzamide
SMILESC#Cc1cccc(NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C19H20N2O3S/c1-6-15-8-7-9-17(11-15)20-19(22)16-10-13(2)14(3)18(12-16)25(23,24)21(4)5/h1,7-12H,2-5H3,(H,20,22)
InChIKeyLYWXTMBDBUAPKQ-UHFFFAOYSA-N
XLogP2.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 39131564
1-N,3-N,5-N-tris(3-ethynylphenyl)benzene-1,3,5-tricarboxamide
CID 155264054
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(4-methylsulfanylphenyl)benzamide
CID 42370271
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 26701226
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide
CID 55833213
4-tert-butyl-N-(3-ethynylphenyl)benzamide
CID 60712469
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55782703
N-(4-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 26701236
4-(diethylsulfamoyl)-N-(3-ethynylphenyl)benzamide
CID 36666715
3-cyano-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 8893485
1-N,3-N-bis(3-ethynylphenyl)-5-[(3-ethynylphenyl)carbamoylamino]benzene-1,3-dicarboxamide
CID 59499518
N-[4-(difluoromethoxy)phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 34273541

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(3-ethynylphenyl)-4,5-dimethylbenzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(3-ethynylphenyl)-4,5-dimethylbenzamide (CID 51337793) is 3-(dimethylsulfamoyl)-N-(3-ethynylphenyl)-4,5-dimethylbenzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(3-ethynylphenyl)-4,5-dimethylbenzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(3-ethynylphenyl)-4,5-dimethylbenzamide is C#Cc1cccc(NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(3-ethynylphenyl)-4,5-dimethylbenzamide?
The InChIKey is LYWXTMBDBUAPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-6-15-8-7-9-17(11-15)20-19(22)16-10-13(2)14(3)18(12-16)25(23,24)21(4)5/h1,7-12H,2-5H3,(H,20,22).
What are the key properties of 3-(dimethylsulfamoyl)-N-(3-ethynylphenyl)-4,5-dimethylbenzamide?
3-(dimethylsulfamoyl)-N-(3-ethynylphenyl)-4,5-dimethylbenzamide has a molecular weight of 356.45 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-(3-ethynylphenyl)-4,5-dimethylbenzamide is sourced from PubChem (CID 51337793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).