N-(2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

C19H19ClN2O4S — CID 71904558

IUPACN-(2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1Cl
InChIInChI=1S/C19H19ClN2O4S/c20-17-3-1-2-4-18(17)21-19(23)10-7-15-5-8-16(9-6-15)27(24,25)22-11-13-26-14-12-22/h1-10H,11-14H2,(H,21,23)
InChIKeyACHWGCOSQLLHTG-UHFFFAOYSA-N
MW406.89 g/mol
LogP3.01
Rot. Bonds5

About N-(2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

N-(2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (PubChem CID 71904558) has the molecular formula C19H19ClN2O4S and a molecular weight of 406.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
PubChem CID71904558
Molecular FormulaC19H19ClN2O4S
Molecular Weight406.89 g/mol
Exact Mass406.08
IUPAC NameN-(2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1Cl
InChIInChI=1S/C19H19ClN2O4S/c20-17-3-1-2-4-18(17)21-19(23)10-7-15-5-8-16(9-6-15)27(24,25)22-11-13-26-14-12-22/h1-10H,11-14H2,(H,21,23)
InChIKeyACHWGCOSQLLHTG-UHFFFAOYSA-N
XLogP3.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 53.01
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

(E)-N-[2-(azepan-1-yl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 24652753
N-(4-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 71904513
(E)-3-(4-aminophenyl)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 84552557
(Z)-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 2139660
N-(2,6-difluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 76859964
(E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 1108161
(E)-N-(2,5-difluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2386809
(E)-N-(2,4-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2600144
(E)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 16547893
N-(2-chloro-4,6-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 3929869
(E)-N-(4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2664919
(E)-N-(5-fluoro-2-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2485069

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of N-(2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (CID 71904558) is N-(2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is O=C(C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is ACHWGCOSQLLHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4S/c20-17-3-1-2-4-18(17)21-19(23)10-7-15-5-8-16(9-6-15)27(24,25)22-11-13-26-14-12-22/h1-10H,11-14H2,(H,21,23).
What are the key properties of N-(2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
N-(2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 406.89 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 71904558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).