N-(3-acetylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide

C18H16N2O4S — CID 34833159

IUPACN-(3-acetylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C18H16N2O4S/c1-3-11-19-25(23,24)17-9-7-14(8-10-17)18(22)20-16-6-4-5-15(12-16)13(2)21/h1,4-10,12,19H,11H2,2H3,(H,20,22)
InChIKeyMOJARLLYZXYIKO-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.05
Rot. Bonds6

About N-(3-acetylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide

N-(3-acetylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 34833159) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
PubChem CID34833159
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC NameN-(3-acetylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C18H16N2O4S/c1-3-11-19-25(23,24)17-9-7-14(8-10-17)18(22)20-16-6-4-5-15(12-16)13(2)21/h1,4-10,12,19H,11H2,2H3,(H,20,22)
InChIKeyMOJARLLYZXYIKO-UHFFFAOYSA-N
XLogP2.05
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylaminomethyl)phenyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 43073846
N-(3,4-difluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33314597
N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide
CID 46524259
3-fluoro-N-[3-[[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]methyl]phenyl]benzamide
CID 55948629
N-(3-fluoro-4-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33314755
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 46420748
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 34313277
N-[4-(propylcarbamoyl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55948886
N-(2-anilino-2-oxoethyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 55837048
N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27006401
3-(prop-2-ynylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55813841

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-(3-acetylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide (CID 34833159) is N-(3-acetylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-(3-acetylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of N-(3-acetylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is MOJARLLYZXYIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-3-11-19-25(23,24)17-9-7-14(8-10-17)18(22)20-16-6-4-5-15(12-16)13(2)21/h1,4-10,12,19H,11H2,2H3,(H,20,22).
What are the key properties of N-(3-acetylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide?
N-(3-acetylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 356.40 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 34833159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).