4-(diethylsulfamoyl)-N-(3-ethynylphenyl)benzamide

C19H20N2O3S — CID 36666715

IUPAC4-(diethylsulfamoyl)-N-(3-ethynylphenyl)benzamide
SMILESC#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)c1
InChIInChI=1S/C19H20N2O3S/c1-4-15-8-7-9-17(14-15)20-19(22)16-10-12-18(13-11-16)25(23,24)21(5-2)6-3/h1,7-14H,5-6H2,2-3H3,(H,20,22)
InChIKeyVNJRPVKNUZYYRS-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.95
Rot. Bonds6

About 4-(diethylsulfamoyl)-N-(3-ethynylphenyl)benzamide

4-(diethylsulfamoyl)-N-(3-ethynylphenyl)benzamide (PubChem CID 36666715) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(3-ethynylphenyl)benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(3-ethynylphenyl)benzamide
PubChem CID36666715
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name4-(diethylsulfamoyl)-N-(3-ethynylphenyl)benzamide
SMILESC#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)c1
InChIInChI=1S/C19H20N2O3S/c1-4-15-8-7-9-17(14-15)20-19(22)16-10-12-18(13-11-16)25(23,24)21(5-2)6-3/h1,7-14H,5-6H2,2-3H3,(H,20,22)
InChIKeyVNJRPVKNUZYYRS-UHFFFAOYSA-N
XLogP2.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.95
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

methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate
CID 2676516
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666437
4-ethyl-N-(3-ethynylphenyl)benzamide
CID 18168132
4-(diethylaminomethyl)-N-(3-ethynylphenyl)benzamide
CID 46426668
N-[2-(3-cyanoanilino)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide
CID 9245668
4-acetamido-N-[3-(diethylsulfamoyl)phenyl]benzamide
CID 7760016
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
4-tert-butyl-N-(3-ethynylphenyl)benzamide
CID 60712469
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
1-N,3-N,5-N-tris(3-ethynylphenyl)benzene-1,3,5-tricarboxamide
CID 155264054
N-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 7760022

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(3-ethynylphenyl)benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(3-ethynylphenyl)benzamide (CID 36666715) is 4-(diethylsulfamoyl)-N-(3-ethynylphenyl)benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(3-ethynylphenyl)benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(3-ethynylphenyl)benzamide is C#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)c1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(3-ethynylphenyl)benzamide?
The InChIKey is VNJRPVKNUZYYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-4-15-8-7-9-17(14-15)20-19(22)16-10-12-18(13-11-16)25(23,24)21(5-2)6-3/h1,7-14H,5-6H2,2-3H3,(H,20,22).
What are the key properties of 4-(diethylsulfamoyl)-N-(3-ethynylphenyl)benzamide?
4-(diethylsulfamoyl)-N-(3-ethynylphenyl)benzamide has a molecular weight of 356.45 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(3-ethynylphenyl)benzamide is sourced from PubChem (CID 36666715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).