N-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide

C13H16N2O3S — CID 51297855

IUPACN-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C13H16N2O3S/c1-4-9-14-19(17,18)12-7-5-11(6-8-12)13(16)15-10(2)3/h1,5-8,10,14H,9H2,2-3H3,(H,15,16)
InChIKeyPHASCAAYVPZOTK-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.74
Rot. Bonds5

About N-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide

N-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 51297855) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide
PubChem CID51297855
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C13H16N2O3S/c1-4-9-14-19(17,18)12-7-5-11(6-8-12)13(16)15-10(2)3/h1,5-8,10,14H,9H2,2-3H3,(H,15,16)
InChIKeyPHASCAAYVPZOTK-UHFFFAOYSA-N
XLogP0.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.74
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-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297156
N-(2-hydroxypropyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 78856021
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 25480917
N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 55580165
N-[cyclopropyl(phenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 51334368
N-(2-propan-2-yloxyphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 39498711
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 52510027
4-(azepane-1-carbonyl)-N-prop-2-ynylbenzenesulfonamide
CID 17466659
N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 43059176
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-propan-2-ylbenzamide
CID 109058149
N-(2-fluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33314164
N-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 33313792

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide (CID 51297855) is N-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1ccc(C(=O)NC(C)C)cc1.
What is the InChIKey of N-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is PHASCAAYVPZOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-4-9-14-19(17,18)12-7-5-11(6-8-12)13(16)15-10(2)3/h1,5-8,10,14H,9H2,2-3H3,(H,15,16).
What are the key properties of N-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide?
N-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 280.35 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 51297855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).