N-methyl-2-[3-(propylsulfonylamino)prop-1-ynyl]benzamide

C14H18N2O3S — CID 90553669

IUPACN-methyl-2-[3-(propylsulfonylamino)prop-1-ynyl]benzamide
SMILESCCCS(=O)(=O)NCC#Cc1ccccc1C(=O)NC
InChIInChI=1S/C14H18N2O3S/c1-3-11-20(18,19)16-10-6-8-12-7-4-5-9-13(12)14(17)15-2/h4-5,7,9,16H,3,10-11H2,1-2H3,(H,15,17)
InChIKeyVNWOAFNQGIYFMZ-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.73
Rot. Bonds5

About N-methyl-2-[3-(propylsulfonylamino)prop-1-ynyl]benzamide

N-methyl-2-[3-(propylsulfonylamino)prop-1-ynyl]benzamide (PubChem CID 90553669) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-methyl-2-[3-(propylsulfonylamino)prop-1-ynyl]benzamide.

Molecular Properties

Compound NameN-methyl-2-[3-(propylsulfonylamino)prop-1-ynyl]benzamide
PubChem CID90553669
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-methyl-2-[3-(propylsulfonylamino)prop-1-ynyl]benzamide
SMILESCCCS(=O)(=O)NCC#Cc1ccccc1C(=O)NC
InChIInChI=1S/C14H18N2O3S/c1-3-11-20(18,19)16-10-6-8-12-7-4-5-9-13(12)14(17)15-2/h4-5,7,9,16H,3,10-11H2,1-2H3,(H,15,17)
InChIKeyVNWOAFNQGIYFMZ-UHFFFAOYSA-N
XLogP0.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.73
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

2-[3-[(3,5-difluorophenyl)sulfonylamino]prop-1-ynyl]-N-methylbenzamide
CID 90553735
2-(3-aminoprop-1-ynyl)-N-methylbenzamide
CID 60820705
N-[3-(2-methoxyphenyl)prop-2-ynyl]propane-1-sulfonamide
CID 90553197
2-[3-[(5-fluoro-2-methoxyphenyl)sulfonylamino]prop-1-ynyl]-N-methylbenzamide
CID 90553698
2-[3-[[2-(4-fluorophenyl)acetyl]amino]prop-1-ynyl]-N-methylbenzamide
CID 90550373
N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 90550236
3-(4-fluorophenyl)-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1H-pyrazole-5-carboxamide
CID 90550231
N-methyl-2-[3-[[2-(4-methylphenoxy)acetyl]amino]prop-1-ynyl]benzamide
CID 90550364
2-methyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1,3-thiazole-4-carboxamide
CID 90550228
N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1H-indole-3-carboxamide
CID 90550420
4-methyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide
CID 90550468
2-[3-[(4-methoxyphenyl)carbamoylamino]prop-1-ynyl]-N-methylbenzamide
CID 90553632

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(propylsulfonylamino)prop-1-ynyl]benzamide?
The IUPAC name of N-methyl-2-[3-(propylsulfonylamino)prop-1-ynyl]benzamide (CID 90553669) is N-methyl-2-[3-(propylsulfonylamino)prop-1-ynyl]benzamide.
What is the SMILES notation for N-methyl-2-[3-(propylsulfonylamino)prop-1-ynyl]benzamide?
The canonical SMILES for N-methyl-2-[3-(propylsulfonylamino)prop-1-ynyl]benzamide is CCCS(=O)(=O)NCC#Cc1ccccc1C(=O)NC.
What is the InChIKey of N-methyl-2-[3-(propylsulfonylamino)prop-1-ynyl]benzamide?
The InChIKey is VNWOAFNQGIYFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-3-11-20(18,19)16-10-6-8-12-7-4-5-9-13(12)14(17)15-2/h4-5,7,9,16H,3,10-11H2,1-2H3,(H,15,17).
What are the key properties of N-methyl-2-[3-(propylsulfonylamino)prop-1-ynyl]benzamide?
N-methyl-2-[3-(propylsulfonylamino)prop-1-ynyl]benzamide has a molecular weight of 294.38 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(propylsulfonylamino)prop-1-ynyl]benzamide is sourced from PubChem (CID 90553669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).