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

C20H21ClN2O4S — CID 5035065

IUPAC3-(4-chlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)C=Cc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H21ClN2O4S/c1-15-2-8-18(14-19(15)28(25,26)23-10-12-27-13-11-23)22-20(24)9-5-16-3-6-17(21)7-4-16/h2-9,14H,10-13H2,1H3,(H,22,24)
InChIKeyDKZBXFPWIJMOSC-UHFFFAOYSA-N
MW420.92 g/mol
LogP3.32
Rot. Bonds5

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

3-(4-chlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide (PubChem CID 5035065) has the molecular formula C20H21ClN2O4S and a molecular weight of 420.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
PubChem CID5035065
Molecular FormulaC20H21ClN2O4S
Molecular Weight420.92 g/mol
Exact Mass420.09
IUPAC Name3-(4-chlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)C=Cc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H21ClN2O4S/c1-15-2-8-18(14-19(15)28(25,26)23-10-12-27-13-11-23)22-20(24)9-5-16-3-6-17(21)7-4-16/h2-9,14H,10-13H2,1H3,(H,22,24)
InChIKeyDKZBXFPWIJMOSC-UHFFFAOYSA-N
XLogP3.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 53.32
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

N-(4-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 71904513
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
(E)-N-(4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2664919
[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(3-chlorophenyl)prop-2-enoate
CID 5109082
2-[(4-chlorophenyl)methylsulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 16523782
2-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 42987634
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 55486331
3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 878244
N-(2-chloro-4,6-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 3929869
(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea
CID 169358512
(E)-3-(4-chlorophenyl)-N-(3-iodo-4-methylphenyl)prop-2-enamide
CID 7925553
2-chloro-4-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26759942

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide (CID 5035065) is 3-(4-chlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide is Cc1ccc(NC(=O)C=Cc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is DKZBXFPWIJMOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4S/c1-15-2-8-18(14-19(15)28(25,26)23-10-12-27-13-11-23)22-20(24)9-5-16-3-6-17(21)7-4-16/h2-9,14H,10-13H2,1H3,(H,22,24).
What are the key properties of 3-(4-chlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
3-(4-chlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 420.92 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 5035065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).