N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide

C11H12N2O3S — CID 9356086

IUPACN-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide
SMILESC#CCNS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C11H12N2O3S/c1-3-8-12-17(15,16)11-6-4-10(5-7-11)13-9(2)14/h1,4-7,12H,8H2,2H3,(H,13,14)
InChIKeyZBEDVEMVIJORPJ-UHFFFAOYSA-N
MW252.29 g/mol
LogP0.56
Rot. Bonds4

About N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide

N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide (PubChem CID 9356086) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide
PubChem CID9356086
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC NameN-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide
SMILESC#CCNS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C11H12N2O3S/c1-3-8-12-17(15,16)11-6-4-10(5-7-11)13-9(2)14/h1,4-7,12H,8H2,2H3,(H,13,14)
InChIKeyZBEDVEMVIJORPJ-UHFFFAOYSA-N
XLogP0.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(hex-5-ynylsulfamoyl)phenyl]acetamide
CID 103756998
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
N-[4-[(2-amino-2-sulfanylideneethyl)sulfamoyl]phenyl]acetamide
CID 61127681
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
CID 43602837
methyl (2R)-3-[(4-acetamidophenyl)sulfonylamino]-2-methylpropanoate
CID 96543237
methyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylpropanoate
CID 71847844
N-(3-acetylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 34833159
N-(3,4-difluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33314597
N-[4-[3-[(4-acetylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
CID 90554254
N-(2-anilino-2-oxoethyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 55837048
N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide
CID 2179183
N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]acetamide
CID 66176694

Frequently Asked Questions

What is the IUPAC name of N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide (CID 9356086) is N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide is C#CCNS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide?
The InChIKey is ZBEDVEMVIJORPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-3-8-12-17(15,16)11-6-4-10(5-7-11)13-9(2)14/h1,4-7,12H,8H2,2H3,(H,13,14).
What are the key properties of N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide?
N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide has a molecular weight of 252.29 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 9356086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).