3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide

C19H20N2O3S — CID 1334857

IUPAC3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H20N2O3S/c22-19(13-8-16-6-2-1-3-7-16)20-17-9-11-18(12-10-17)25(23,24)21-14-4-5-15-21/h1-3,6-13H,4-5,14-15H2,(H,20,22)
InChIKeyDYOZPSOVUALJFG-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.12
Rot. Bonds5

About 3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide

3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide (PubChem CID 1334857) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
PubChem CID1334857
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H20N2O3S/c22-19(13-8-16-6-2-1-3-7-16)20-17-9-11-18(12-10-17)25(23,24)21-14-4-5-15-21/h1-3,6-13H,4-5,14-15H2,(H,20,22)
InChIKeyDYOZPSOVUALJFG-UHFFFAOYSA-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

(E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide
CID 1185492
(Z)-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 2139660
3-(4-hydroxyphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 146421331
(E)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 7926310
(E)-3-(3-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 2429875
(E)-3-(4-methoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 1363250
(Z)-4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobut-2-enoic acid
CID 2265448
(E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-3-ylprop-2-enamide
CID 30269722
(E)-3-phenylsulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 9073784
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide
CID 73382048
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 4613238
(E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 2331637

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of 3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide (CID 1334857) is 3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for 3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for 3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide is O=C(C=Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is DYOZPSOVUALJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c22-19(13-8-16-6-2-1-3-7-16)20-17-9-11-18(12-10-17)25(23,24)21-14-4-5-15-21/h1-3,6-13H,4-5,14-15H2,(H,20,22).
What are the key properties of 3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide?
3-phenyl-N-(4-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 3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 1334857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).