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

C16H22N2O3S — CID 32628850

IUPACN-(4-methylpentyl)-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)NCCCC(C)C)c1
InChIInChI=1S/C16H22N2O3S/c1-4-10-18-22(20,21)15-9-5-8-14(12-15)16(19)17-11-6-7-13(2)3/h1,5,8-9,12-13,18H,6-7,10-11H2,2-3H3,(H,17,19)
InChIKeyLXRQBXXSNYFDLS-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.76
Rot. Bonds8

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

N-(4-methylpentyl)-3-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 32628850) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(4-methylpentyl)-3-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-methylpentyl)-3-(prop-2-ynylsulfamoyl)benzamide
PubChem CID32628850
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-(4-methylpentyl)-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)NCCCC(C)C)c1
InChIInChI=1S/C16H22N2O3S/c1-4-10-18-22(20,21)15-9-5-8-14(12-15)16(19)17-11-6-7-13(2)3/h1,5,8-9,12-13,18H,6-7,10-11H2,2-3H3,(H,17,19)
InChIKeyLXRQBXXSNYFDLS-UHFFFAOYSA-N
XLogP1.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide
CID 109065314
N-(2,2-diphenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27018001
N-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 32628667
3-(5-methylhexylcarbamoyl)benzenesulfonyl chloride
CID 113287469
N-[2-(3-fluorophenyl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 27023537
N-[4-(propylcarbamoyl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55948886
N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062648
N-[(2-fluorophenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 27009215
3-[3-(dimethylamino)propylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 109064177
N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide
CID 46524259
N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
N-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 134041612

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-3-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-(4-methylpentyl)-3-(prop-2-ynylsulfamoyl)benzamide (CID 32628850) is N-(4-methylpentyl)-3-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-methylpentyl)-3-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-(4-methylpentyl)-3-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)NCCCC(C)C)c1.
What is the InChIKey of N-(4-methylpentyl)-3-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is LXRQBXXSNYFDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-4-10-18-22(20,21)15-9-5-8-14(12-15)16(19)17-11-6-7-13(2)3/h1,5,8-9,12-13,18H,6-7,10-11H2,2-3H3,(H,17,19).
What are the key properties of N-(4-methylpentyl)-3-(prop-2-ynylsulfamoyl)benzamide?
N-(4-methylpentyl)-3-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 322.43 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-3-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 32628850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).