N-(4-morpholin-4-ylbutan-2-yl)-3-(5-phenylthiophen-2-yl)prop-2-enamide

C21H26N2O2S — CID 103599724

IUPACN-(4-morpholin-4-ylbutan-2-yl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
SMILESCC(CCN1CCOCC1)NC(=O)C=Cc1ccc(-c2ccccc2)s1
InChIInChI=1S/C21H26N2O2S/c1-17(11-12-23-13-15-25-16-14-23)22-21(24)10-8-19-7-9-20(26-19)18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3,(H,22,24)
InChIKeySPVWKNKSVKAWJC-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.66
Rot. Bonds7

About N-(4-morpholin-4-ylbutan-2-yl)-3-(5-phenylthiophen-2-yl)prop-2-enamide

N-(4-morpholin-4-ylbutan-2-yl)-3-(5-phenylthiophen-2-yl)prop-2-enamide (PubChem CID 103599724) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-(4-morpholin-4-ylbutan-2-yl)-3-(5-phenylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylbutan-2-yl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
PubChem CID103599724
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-(4-morpholin-4-ylbutan-2-yl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
SMILESCC(CCN1CCOCC1)NC(=O)C=Cc1ccc(-c2ccccc2)s1
InChIInChI=1S/C21H26N2O2S/c1-17(11-12-23-13-15-25-16-14-23)22-21(24)10-8-19-7-9-20(26-19)18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3,(H,22,24)
InChIKeySPVWKNKSVKAWJC-UHFFFAOYSA-N
XLogP3.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.66
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)-1-morpholin-4-yl-3-(5-phenylthiophen-2-yl)prop-2-en-1-one
CID 17432981
N-(2-morpholin-4-ylethyl)-5-phenylthiophene-2-carboxamide
CID 117082907
(E)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9144799
N-(3-morpholin-4-ylpropyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51162206
1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 119126800
methyl 3-[[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]amino]-3-thiophen-2-ylpropanoate
CID 134033604
1-[(2S)-4-morpholin-4-ylbutan-2-yl]-3-(3-phenoxyphenyl)urea
CID 97436919
(E)-3-(1,3-benzoxazol-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)prop-2-enamide
CID 51083819
[2-(2-methylpropylamino)-2-oxoethyl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate
CID 8515818
2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222862
2-methyl-N'-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]furan-3-carbohydrazide
CID 26260570
(E)-N-[(3-acetamidophenyl)methyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 39573477

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylbutan-2-yl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The IUPAC name of N-(4-morpholin-4-ylbutan-2-yl)-3-(5-phenylthiophen-2-yl)prop-2-enamide (CID 103599724) is N-(4-morpholin-4-ylbutan-2-yl)-3-(5-phenylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for N-(4-morpholin-4-ylbutan-2-yl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for N-(4-morpholin-4-ylbutan-2-yl)-3-(5-phenylthiophen-2-yl)prop-2-enamide is CC(CCN1CCOCC1)NC(=O)C=Cc1ccc(-c2ccccc2)s1.
What is the InChIKey of N-(4-morpholin-4-ylbutan-2-yl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The InChIKey is SPVWKNKSVKAWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-17(11-12-23-13-15-25-16-14-23)22-21(24)10-8-19-7-9-20(26-19)18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3,(H,22,24).
What are the key properties of N-(4-morpholin-4-ylbutan-2-yl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
N-(4-morpholin-4-ylbutan-2-yl)-3-(5-phenylthiophen-2-yl)prop-2-enamide has a molecular weight of 370.52 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylbutan-2-yl)-3-(5-phenylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 103599724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).