2-[(4-ethenylphenyl)sulfonylamino]-N-methylbutanamide

C13H18N2O3S — CID 166235716

IUPAC2-[(4-ethenylphenyl)sulfonylamino]-N-methylbutanamide
SMILESC=Cc1ccc(S(=O)(=O)NC(CC)C(=O)NC)cc1
InChIInChI=1S/C13H18N2O3S/c1-4-10-6-8-11(9-7-10)19(17,18)15-12(5-2)13(16)14-3/h4,6-9,12,15H,1,5H2,2-3H3,(H,14,16)
InChIKeyKMJBQTQYSAGRFS-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.13
Rot. Bonds6

About 2-[(4-ethenylphenyl)sulfonylamino]-N-methylbutanamide

2-[(4-ethenylphenyl)sulfonylamino]-N-methylbutanamide (PubChem CID 166235716) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-[(4-ethenylphenyl)sulfonylamino]-N-methylbutanamide.

Molecular Properties

Compound Name2-[(4-ethenylphenyl)sulfonylamino]-N-methylbutanamide
PubChem CID166235716
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name2-[(4-ethenylphenyl)sulfonylamino]-N-methylbutanamide
SMILESC=Cc1ccc(S(=O)(=O)NC(CC)C(=O)NC)cc1
InChIInChI=1S/C13H18N2O3S/c1-4-10-6-8-11(9-7-10)19(17,18)15-12(5-2)13(16)14-3/h4,6-9,12,15H,1,5H2,2-3H3,(H,14,16)
InChIKeyKMJBQTQYSAGRFS-UHFFFAOYSA-N
XLogP1.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-ethenylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 15548255
4-ethenyl-N-hydroxybenzenesulfonamide
CID 139935859
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-ylbutanamide
CID 7730689
(2S)-2-(benzenesulfonamido)butanoate
CID 6944962
2-[(4-methylphenyl)sulfonylamino]butanoate
CID 4987554
N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499244
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 3643187
2-[(4-aminophenyl)sulfonylamino]butanoic acid
CID 71945727
2-[(4-bromophenyl)sulfonylamino]-N-(3-methylphenyl)butanamide
CID 50740483
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]butanoic acid
CID 42255460
(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-methyl-3-phenylpropanamide
CID 28540532
N-heptyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 4624697

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethenylphenyl)sulfonylamino]-N-methylbutanamide?
The IUPAC name of 2-[(4-ethenylphenyl)sulfonylamino]-N-methylbutanamide (CID 166235716) is 2-[(4-ethenylphenyl)sulfonylamino]-N-methylbutanamide.
What is the SMILES notation for 2-[(4-ethenylphenyl)sulfonylamino]-N-methylbutanamide?
The canonical SMILES for 2-[(4-ethenylphenyl)sulfonylamino]-N-methylbutanamide is C=Cc1ccc(S(=O)(=O)NC(CC)C(=O)NC)cc1.
What is the InChIKey of 2-[(4-ethenylphenyl)sulfonylamino]-N-methylbutanamide?
The InChIKey is KMJBQTQYSAGRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-4-10-6-8-11(9-7-10)19(17,18)15-12(5-2)13(16)14-3/h4,6-9,12,15H,1,5H2,2-3H3,(H,14,16).
What are the key properties of 2-[(4-ethenylphenyl)sulfonylamino]-N-methylbutanamide?
2-[(4-ethenylphenyl)sulfonylamino]-N-methylbutanamide has a molecular weight of 282.37 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethenylphenyl)sulfonylamino]-N-methylbutanamide is sourced from PubChem (CID 166235716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).