3-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide

C16H22N2O3S — CID 17154050

IUPAC3-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)CCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H22N2O3S/c1-4-12-18(13-5-2)16(19)10-11-17-22(20,21)15-8-6-14(3)7-9-15/h4-9,17H,1-2,10-13H2,3H3
InChIKeyXQMRRKSWKUBWJG-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.86
Rot. Bonds9

About 3-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide

3-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide (PubChem CID 17154050) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide
PubChem CID17154050
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name3-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)CCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H22N2O3S/c1-4-12-18(13-5-2)16(19)10-11-17-22(20,21)15-8-6-14(3)7-9-15/h4-9,17H,1-2,10-13H2,3H3
InChIKeyXQMRRKSWKUBWJG-UHFFFAOYSA-N
XLogP1.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorophenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide
CID 17225599
3-(4-methylphenyl)sulfonyl-1,1-bis(prop-2-enyl)urea
CID 4628428
4-[(4-methylphenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
CID 35742323
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide
CID 113052320
2-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)benzamide
CID 11749023
4-methyl-N-(5-methylhex-5-enyl)benzenesulfonamide
CID 100928656
propan-2-yl 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 26540834
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 46598912
(2R)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-prop-2-enoxypropanamide
CID 94782590
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
N-(3-tert-butylpenta-3,4-dienyl)-4-methylbenzenesulfonamide
CID 102272029
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide?
The IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide (CID 17154050) is 3-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide is C=CCN(CC=C)C(=O)CCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide?
The InChIKey is XQMRRKSWKUBWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-4-12-18(13-5-2)16(19)10-11-17-22(20,21)15-8-6-14(3)7-9-15/h4-9,17H,1-2,10-13H2,3H3.
What are the key properties of 3-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide?
3-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide has a molecular weight of 322.43 g/mol, XLogP of 1.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide is sourced from PubChem (CID 17154050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).