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

C19H19ClN2O3S — CID 2429875

IUPAC(E)-3-(3-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H19ClN2O3S/c20-16-5-3-4-15(14-16)6-11-19(23)21-17-7-9-18(10-8-17)26(24,25)22-12-1-2-13-22/h3-11,14H,1-2,12-13H2,(H,21,23)/b11-6+
InChIKeyGEAXKDDISIIEEP-IZZDOVSWSA-N
MW390.89 g/mol
LogP3.78
Rot. Bonds5

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

(E)-3-(3-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide (PubChem CID 2429875) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
PubChem CID2429875
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC Name(E)-3-(3-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H19ClN2O3S/c20-16-5-3-4-15(14-16)6-11-19(23)21-17-7-9-18(10-8-17)26(24,25)22-12-1-2-13-22/h3-11,14H,1-2,12-13H2,(H,21,23)/b11-6+
InChIKeyGEAXKDDISIIEEP-IZZDOVSWSA-N
XLogP3.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.78
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
(E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide
CID 1185492
(E)-3-(2,4-dichlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 17070631
(E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide
CID 42994544
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
3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3384883
(E)-3-(3-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 1220149
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
(E)-3-(3-piperidin-1-ylsulfonylphenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 66872579
(E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-3-ylprop-2-enamide
CID 30269722
N-(4-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 71904513

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide (CID 2429875) is (E)-3-(3-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide is O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of (E)-3-(3-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is GEAXKDDISIIEEP-IZZDOVSWSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c20-16-5-3-4-15(14-16)6-11-19(23)21-17-7-9-18(10-8-17)26(24,25)22-12-1-2-13-22/h3-11,14H,1-2,12-13H2,(H,21,23)/b11-6+.
What are the key properties of (E)-3-(3-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide?
(E)-3-(3-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 390.89 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 2429875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).