(E)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide

C21H26N2O2S — CID 9144799

IUPAC(E)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc([C@@H](CN2CCOCC2)NC(=O)/C=C/c2ccc(C)s2)cc1
InChIInChI=1S/C21H26N2O2S/c1-16-3-6-18(7-4-16)20(15-23-11-13-25-14-12-23)22-21(24)10-9-19-8-5-17(2)26-19/h3-10,20H,11-15H2,1-2H3,(H,22,24)/b10-9+/t20-/m1/s1
InChIKeyLHFQUBJVENZXKA-SQUSKLHYSA-N
MW370.52 g/mol
LogP3.57
Rot. Bonds6

About (E)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide

(E)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide (PubChem CID 9144799) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is (E)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
PubChem CID9144799
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name(E)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc([C@@H](CN2CCOCC2)NC(=O)/C=C/c2ccc(C)s2)cc1
InChIInChI=1S/C21H26N2O2S/c1-16-3-6-18(7-4-16)20(15-23-11-13-25-14-12-23)22-21(24)10-9-19-8-5-17(2)26-19/h3-10,20H,11-15H2,1-2H3,(H,22,24)/b10-9+/t20-/m1/s1
InChIKeyLHFQUBJVENZXKA-SQUSKLHYSA-N
XLogP3.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.57
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-(3-methylphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144809
(E)-3-(3-methylphenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144807
(E)-3-(4-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144485
(E)-3-(3-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144457
(E)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 24505091
(E)-3-(2-methoxy-5-methylphenyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 24505100
(E)-3-(2,3-dimethoxyphenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144497
(E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 24517387
5-bromo-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 27362650
(E)-3-(furan-2-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide
CID 9148362
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-ylacetamide
CID 51925350
3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 9144477

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide (CID 9144799) is (E)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide is Cc1ccc([C@@H](CN2CCOCC2)NC(=O)/C=C/c2ccc(C)s2)cc1.
What is the InChIKey of (E)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is LHFQUBJVENZXKA-SQUSKLHYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-16-3-6-18(7-4-16)20(15-23-11-13-25-14-12-23)22-21(24)10-9-19-8-5-17(2)26-19/h3-10,20H,11-15H2,1-2H3,(H,22,24)/b10-9+/t20-/m1/s1.
What are the key properties of (E)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide?
(E)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 370.52 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 9144799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).