3-phenyl-2-(sulfonylmethyl)prop-2-enamide

C10H9NO3S — CID 87661438

IUPAC3-phenyl-2-(sulfonylmethyl)prop-2-enamide
SMILESNC(=O)C(=Cc1ccccc1)C=S(=O)=O
InChIInChI=1S/C10H9NO3S/c11-10(12)9(7-15(13)14)6-8-4-2-1-3-5-8/h1-7H,(H2,11,12)
InChIKeyINZNWRQMMQYAHP-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.24
Rot. Bonds3

About 3-phenyl-2-(sulfonylmethyl)prop-2-enamide

3-phenyl-2-(sulfonylmethyl)prop-2-enamide (PubChem CID 87661438) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-phenyl-2-(sulfonylmethyl)prop-2-enamide.

Molecular Properties

Compound Name3-phenyl-2-(sulfonylmethyl)prop-2-enamide
PubChem CID87661438
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name3-phenyl-2-(sulfonylmethyl)prop-2-enamide
SMILESNC(=O)C(=Cc1ccccc1)C=S(=O)=O
InChIInChI=1S/C10H9NO3S/c11-10(12)9(7-15(13)14)6-8-4-2-1-3-5-8/h1-7H,(H2,11,12)
InChIKeyINZNWRQMMQYAHP-UHFFFAOYSA-N
XLogP0.24
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-phenylprop-2-enamide
CID 70617640
(Z)-2,3-diphenylprop-2-enamide
CID 6016357
(Z)-2-[(E)-2-phenylethenyl]but-2-enediamide
CID 141243424
(E)-2-chloro-3-phenylprop-2-enamide
CID 909679
2-benzylidenebutanediamide
CID 141083330
2-(fluoromethyl)-3-phenylprop-2-enamide
CID 151130923
2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one
CID 66616036
styrene;2-sulfonylacetic acid
CID 159570353
3,5-dibenzylidenehepta-1,6-dien-4-one
CID 88644438
(2E)-2-benzylidene-3-methylbutanamide
CID 20836396
3-methyl-4-phenylbut-3-enamide
CID 23660
2-benzylidene-3,3-dimethylbutanamide
CID 67615260

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(sulfonylmethyl)prop-2-enamide?
The IUPAC name of 3-phenyl-2-(sulfonylmethyl)prop-2-enamide (CID 87661438) is 3-phenyl-2-(sulfonylmethyl)prop-2-enamide.
What is the SMILES notation for 3-phenyl-2-(sulfonylmethyl)prop-2-enamide?
The canonical SMILES for 3-phenyl-2-(sulfonylmethyl)prop-2-enamide is NC(=O)C(=Cc1ccccc1)C=S(=O)=O.
What is the InChIKey of 3-phenyl-2-(sulfonylmethyl)prop-2-enamide?
The InChIKey is INZNWRQMMQYAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c11-10(12)9(7-15(13)14)6-8-4-2-1-3-5-8/h1-7H,(H2,11,12).
What are the key properties of 3-phenyl-2-(sulfonylmethyl)prop-2-enamide?
3-phenyl-2-(sulfonylmethyl)prop-2-enamide has a molecular weight of 223.25 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(sulfonylmethyl)prop-2-enamide is sourced from PubChem (CID 87661438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).