(E)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide

C19H20N2O3S — CID 7926310

IUPAC(E)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H20N2O3S/c22-19(12-11-16-7-2-1-3-8-16)20-17-9-6-10-18(15-17)25(23,24)21-13-4-5-14-21/h1-3,6-12,15H,4-5,13-14H2,(H,20,22)/b12-11+
InChIKeyUVVADKQWOKFFRE-VAWYXSNFSA-N
MW356.45 g/mol
LogP3.12
Rot. Bonds5

About (E)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide

(E)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide (PubChem CID 7926310) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is (E)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
PubChem CID7926310
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name(E)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H20N2O3S/c22-19(12-11-16-7-2-1-3-8-16)20-17-9-6-10-18(15-17)25(23,24)21-13-4-5-14-21/h1-3,6-12,15H,4-5,13-14H2,(H,20,22)/b12-11+
InChIKeyUVVADKQWOKFFRE-VAWYXSNFSA-N
XLogP3.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 1334857
3-(4-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 71904110
(E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide
CID 1185492
4-[(E)-3-[3-(azepan-1-ylsulfonyl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 55558580
(E)-3-(3-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 7926226
(2E,4E)-N-(3-pyrrolidin-1-ylsulfonylphenyl)hexa-2,4-dienamide
CID 9415021
(E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5348189
(E)-3-(5-methylfuran-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 26592569
(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-methoxyphenyl)prop-2-enamide
CID 40627773
(E)-3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 8001993
3-(1,3-benzothiazol-2-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 4805924
(E)-3-(3-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 2429875

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide (CID 7926310) is (E)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide is O=C(/C=C/c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of (E)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is UVVADKQWOKFFRE-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H20N2O3S/c22-19(12-11-16-7-2-1-3-8-16)20-17-9-6-10-18(15-17)25(23,24)21-13-4-5-14-21/h1-3,6-12,15H,4-5,13-14H2,(H,20,22)/b12-11+.
What are the key properties of (E)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide?
(E)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 356.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 7926310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).