(E)-3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylsulfonylethyl)prop-2-enamide

C17H23ClN2O3S — CID 110306654

IUPAC(E)-3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylsulfonylethyl)prop-2-enamide
SMILESC/C(=C\c1ccc(Cl)cc1)C(=O)NCCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C17H23ClN2O3S/c1-14(13-15-5-7-16(18)8-6-15)17(21)19-9-12-24(22,23)20-10-3-2-4-11-20/h5-8,13H,2-4,9-12H2,1H3,(H,19,21)/b14-13+
InChIKeyUUMRJDZJEOVROK-BUHFOSPRSA-N
MW370.90 g/mol
LogP2.68
Rot. Bonds6

About (E)-3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylsulfonylethyl)prop-2-enamide

(E)-3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylsulfonylethyl)prop-2-enamide (PubChem CID 110306654) has the molecular formula C17H23ClN2O3S and a molecular weight of 370.90 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylsulfonylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylsulfonylethyl)prop-2-enamide
PubChem CID110306654
Molecular FormulaC17H23ClN2O3S
Molecular Weight370.90 g/mol
Exact Mass370.11
IUPAC Name(E)-3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylsulfonylethyl)prop-2-enamide
SMILESC/C(=C\c1ccc(Cl)cc1)C(=O)NCCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C17H23ClN2O3S/c1-14(13-15-5-7-16(18)8-6-15)17(21)19-9-12-24(22,23)20-10-3-2-4-11-20/h5-8,13H,2-4,9-12H2,1H3,(H,19,21)/b14-13+
InChIKeyUUMRJDZJEOVROK-BUHFOSPRSA-N
XLogP2.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 52.68
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

(E)-3-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylsulfonylethyl)prop-2-enamide
CID 110306701
1-[2-(azepan-1-ylsulfonyl)ethyl]-3-(4-chlorophenyl)urea
CID 110346031
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide
CID 110346034
(E)-3-(4-chlorophenyl)-2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one
CID 110298696
(E)-3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)but-2-enamide
CID 110306630
(Z)-3-(4-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylprop-2-enamide
CID 110026658
N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide
CID 110345992
(E)-3-(4-chlorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide
CID 110305494
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 41349860
ethyl 4-[2-[[(E)-3-(4-chlorophenyl)-2-methylprop-2-enoyl]amino]acetyl]piperazine-1-carboxylate
CID 110305634
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide
CID 41349872
3,4-difluoro-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 110345378

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylsulfonylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylsulfonylethyl)prop-2-enamide (CID 110306654) is (E)-3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylsulfonylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylsulfonylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylsulfonylethyl)prop-2-enamide is C/C(=C\c1ccc(Cl)cc1)C(=O)NCCS(=O)(=O)N1CCCCC1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylsulfonylethyl)prop-2-enamide?
The InChIKey is UUMRJDZJEOVROK-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H23ClN2O3S/c1-14(13-15-5-7-16(18)8-6-15)17(21)19-9-12-24(22,23)20-10-3-2-4-11-20/h5-8,13H,2-4,9-12H2,1H3,(H,19,21)/b14-13+.
What are the key properties of (E)-3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylsulfonylethyl)prop-2-enamide?
(E)-3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylsulfonylethyl)prop-2-enamide has a molecular weight of 370.90 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylsulfonylethyl)prop-2-enamide is sourced from PubChem (CID 110306654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).