(E)-N-[(4-chlorophenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

C20H21ClN2O4S — CID 2348553

IUPAC(E)-N-[(4-chlorophenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O4S/c21-18-6-1-17(2-7-18)15-22-20(24)10-5-16-3-8-19(9-4-16)28(25,26)23-11-13-27-14-12-23/h1-10H,11-15H2,(H,22,24)/b10-5+
InChIKeySPGRBNPMEJKKSO-BJMVGYQFSA-N
MW420.92 g/mol
LogP2.69
Rot. Bonds6

About (E)-N-[(4-chlorophenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

(E)-N-[(4-chlorophenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (PubChem CID 2348553) has the molecular formula C20H21ClN2O4S and a molecular weight of 420.92 g/mol. Its IUPAC name is (E)-N-[(4-chlorophenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-chlorophenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
PubChem CID2348553
Molecular FormulaC20H21ClN2O4S
Molecular Weight420.92 g/mol
Exact Mass420.09
IUPAC Name(E)-N-[(4-chlorophenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O4S/c21-18-6-1-17(2-7-18)15-22-20(24)10-5-16-3-8-19(9-4-16)28(25,26)23-11-13-27-14-12-23/h1-10H,11-15H2,(H,22,24)/b10-5+
InChIKeySPGRBNPMEJKKSO-BJMVGYQFSA-N
XLogP2.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2531912
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 16385430
N-[2-(4-chlorophenyl)ethyl]-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71460264
N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide
CID 1077699
4-chloro-N-[2-(1-cyclohexen-1-yl)ethyl]-3-(4-morpholinylsulfonyl)benzamide
CID 1092707
4-Chloro-N-cycloheptyl-3-(morpholine-4-sulfonyl)-benzamide
CID 1092712
4-chloro-N-(2-morpholin-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1258349
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327917
(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 2336359
(E)-N-[(2-chlorophenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2391161
(E)-N-[(4-methylphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2671758
4-chloro-N-(2-morpholin-4-ylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2986144

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-chlorophenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(4-chlorophenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (CID 2348553) is (E)-N-[(4-chlorophenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(4-chlorophenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(4-chlorophenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccc(Cl)cc1.
What is the InChIKey of (E)-N-[(4-chlorophenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is SPGRBNPMEJKKSO-BJMVGYQFSA-N. The full InChI is InChI=1S/C20H21ClN2O4S/c21-18-6-1-17(2-7-18)15-22-20(24)10-5-16-3-8-19(9-4-16)28(25,26)23-11-13-27-14-12-23/h1-10H,11-15H2,(H,22,24)/b10-5+.
What are the key properties of (E)-N-[(4-chlorophenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
(E)-N-[(4-chlorophenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 420.92 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-chlorophenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 2348553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).