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

C16H21ClN2O4S — CID 110306701

IUPAC(E)-3-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylsulfonylethyl)prop-2-enamide
SMILESC/C(=C\c1ccc(Cl)cc1)C(=O)NCCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H21ClN2O4S/c1-13(12-14-2-4-15(17)5-3-14)16(20)18-6-11-24(21,22)19-7-9-23-10-8-19/h2-5,12H,6-11H2,1H3,(H,18,20)/b13-12+
InChIKeyIPQNKHKLXVINSF-OUKQBFOZSA-N
MW372.87 g/mol
LogP1.52
Rot. Bonds6

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

(E)-3-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylsulfonylethyl)prop-2-enamide (PubChem CID 110306701) has the molecular formula C16H21ClN2O4S and a molecular weight of 372.87 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylsulfonylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylsulfonylethyl)prop-2-enamide
PubChem CID110306701
Molecular FormulaC16H21ClN2O4S
Molecular Weight372.87 g/mol
Exact Mass372.09
IUPAC Name(E)-3-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylsulfonylethyl)prop-2-enamide
SMILESC/C(=C\c1ccc(Cl)cc1)C(=O)NCCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H21ClN2O4S/c1-13(12-14-2-4-15(17)5-3-14)16(20)18-6-11-24(21,22)19-7-9-23-10-8-19/h2-5,12H,6-11H2,1H3,(H,18,20)/b13-12+
InChIKeyIPQNKHKLXVINSF-OUKQBFOZSA-N
XLogP1.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.87
LogP ≤ 51.52
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)-3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylsulfonylethyl)prop-2-enamide
CID 110306654
(E)-3-(4-chlorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide
CID 110305494
(E)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-phenylprop-2-enamide
CID 110302697
3,6-dichloro-2-methoxy-N-(2-morpholin-4-ylsulfonylethyl)benzamide
CID 110287643
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 41349860
4-(2-chlorophenyl)-N-(2-morpholin-4-ylsulfonylethyl)butanamide
CID 110626706
2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 41349884
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 41349917
(Z)-3-(4-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylprop-2-enamide
CID 110026658
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]butanamide
CID 41349861
4-(2-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)butanamide
CID 110626702
N-(2-morpholin-4-ylsulfonylethyl)-5-oxo-5-phenylpentanamide
CID 110354154

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylsulfonylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylsulfonylethyl)prop-2-enamide (CID 110306701) is (E)-3-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylsulfonylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylsulfonylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylsulfonylethyl)prop-2-enamide is C/C(=C\c1ccc(Cl)cc1)C(=O)NCCS(=O)(=O)N1CCOCC1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylsulfonylethyl)prop-2-enamide?
The InChIKey is IPQNKHKLXVINSF-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H21ClN2O4S/c1-13(12-14-2-4-15(17)5-3-14)16(20)18-6-11-24(21,22)19-7-9-23-10-8-19/h2-5,12H,6-11H2,1H3,(H,18,20)/b13-12+.
What are the key properties of (E)-3-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylsulfonylethyl)prop-2-enamide?
(E)-3-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylsulfonylethyl)prop-2-enamide has a molecular weight of 372.87 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylsulfonylethyl)prop-2-enamide is sourced from PubChem (CID 110306701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).