N-(2-methoxyphenyl)sulfonyl-N-phenylprop-2-enamide

C16H15NO4S — CID 89239390

IUPACN-(2-methoxyphenyl)sulfonyl-N-phenylprop-2-enamide
SMILESC=CC(=O)N(c1ccccc1)S(=O)(=O)c1ccccc1OC
InChIInChI=1S/C16H15NO4S/c1-3-16(18)17(13-9-5-4-6-10-13)22(19,20)15-12-8-7-11-14(15)21-2/h3-12H,1H2,2H3
InChIKeyUPRRDYNZJZKDCM-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.60
Rot. Bonds5

About N-(2-methoxyphenyl)sulfonyl-N-phenylprop-2-enamide

N-(2-methoxyphenyl)sulfonyl-N-phenylprop-2-enamide (PubChem CID 89239390) has the molecular formula C16H15NO4S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(2-methoxyphenyl)sulfonyl-N-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)sulfonyl-N-phenylprop-2-enamide
PubChem CID89239390
Molecular FormulaC16H15NO4S
Molecular Weight317.37 g/mol
Exact Mass317.07
IUPAC NameN-(2-methoxyphenyl)sulfonyl-N-phenylprop-2-enamide
SMILESC=CC(=O)N(c1ccccc1)S(=O)(=O)c1ccccc1OC
InChIInChI=1S/C16H15NO4S/c1-3-16(18)17(13-9-5-4-6-10-13)22(19,20)15-12-8-7-11-14(15)21-2/h3-12H,1H2,2H3
InChIKeyUPRRDYNZJZKDCM-UHFFFAOYSA-N
XLogP2.60
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-N-phenylprop-2-enamide
CID 11816178
2-methoxy-N,N-di(propan-2-yl)benzenesulfonamide
CID 143578726
2-(2-methoxyphenyl)sulfonylacetic acid
CID 18416868
3-(2-methoxyphenyl)sulfonylpropanoic acid
CID 61297989
N-hydroxy-N-phenylprop-2-enamide
CID 11367183
N-(4-chlorophenyl)sulfonyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 2566541
(2-methoxyphenyl) prop-2-enoate
CID 22987486
3-(2-methoxyphenyl)sulfonylbutan-2-one
CID 64637155
N-(1-ethylpiperidin-4-yl)-2-methoxy-N-phenylbenzenesulfonamide
CID 126811816
2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide
CID 19217917
3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-phenylbenzamide
CID 51161109
N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide
CID 120664143

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)sulfonyl-N-phenylprop-2-enamide?
The IUPAC name of N-(2-methoxyphenyl)sulfonyl-N-phenylprop-2-enamide (CID 89239390) is N-(2-methoxyphenyl)sulfonyl-N-phenylprop-2-enamide.
What is the SMILES notation for N-(2-methoxyphenyl)sulfonyl-N-phenylprop-2-enamide?
The canonical SMILES for N-(2-methoxyphenyl)sulfonyl-N-phenylprop-2-enamide is C=CC(=O)N(c1ccccc1)S(=O)(=O)c1ccccc1OC.
What is the InChIKey of N-(2-methoxyphenyl)sulfonyl-N-phenylprop-2-enamide?
The InChIKey is UPRRDYNZJZKDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4S/c1-3-16(18)17(13-9-5-4-6-10-13)22(19,20)15-12-8-7-11-14(15)21-2/h3-12H,1H2,2H3.
What are the key properties of N-(2-methoxyphenyl)sulfonyl-N-phenylprop-2-enamide?
N-(2-methoxyphenyl)sulfonyl-N-phenylprop-2-enamide has a molecular weight of 317.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)sulfonyl-N-phenylprop-2-enamide is sourced from PubChem (CID 89239390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).