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

C20H22N2O4S — CID 30505444

IUPAC(E)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H22N2O4S/c23-20(11-8-17-4-2-1-3-5-17)21-16-18-6-9-19(10-7-18)27(24,25)22-12-14-26-15-13-22/h1-11H,12-16H2,(H,21,23)/b11-8+
InChIKeyKHIMORJEZYAJEZ-DHZHZOJOSA-N
MW386.47 g/mol
LogP2.04
Rot. Bonds6

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

(E)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-phenylprop-2-enamide (PubChem CID 30505444) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is (E)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-phenylprop-2-enamide
PubChem CID30505444
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name(E)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H22N2O4S/c23-20(11-8-17-4-2-1-3-5-17)21-16-18-6-9-19(10-7-18)27(24,25)22-12-14-26-15-13-22/h1-11H,12-16H2,(H,21,23)/b11-8+
InChIKeyKHIMORJEZYAJEZ-DHZHZOJOSA-N
XLogP2.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.04
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

(Z)-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 2139660
(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[2-[[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6008893
N-butyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 78780527
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
CID 55704601
(E)-3-(4-tert-butylphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]prop-2-enamide
CID 108759256
N-(3-methylbutyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 78288601
(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 9300050
(E)-3-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]prop-2-enamide
CID 108759157
2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylacetamide
CID 119271586
N-(2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 71904558
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 2336227

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-phenylprop-2-enamide (CID 30505444) is (E)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of (E)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-phenylprop-2-enamide?
The InChIKey is KHIMORJEZYAJEZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H22N2O4S/c23-20(11-8-17-4-2-1-3-5-17)21-16-18-6-9-19(10-7-18)27(24,25)22-12-14-26-15-13-22/h1-11H,12-16H2,(H,21,23)/b11-8+.
What are the key properties of (E)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-phenylprop-2-enamide?
(E)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-phenylprop-2-enamide has a molecular weight of 386.47 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 30505444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).