N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenyl-N-prop-2-enylbutanamide

C18H21N3O2S — CID 4995894

IUPACN-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenyl-N-prop-2-enylbutanamide
SMILESC=CCN(CC(=O)Nc1nccs1)C(=O)C(CC)c1ccccc1
InChIInChI=1S/C18H21N3O2S/c1-3-11-21(13-16(22)20-18-19-10-12-24-18)17(23)15(4-2)14-8-6-5-7-9-14/h3,5-10,12,15H,1,4,11,13H2,2H3,(H,19,20,22)
InChIKeyWAQVRCNQQJKGAH-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.29
Rot. Bonds8

About N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenyl-N-prop-2-enylbutanamide

N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenyl-N-prop-2-enylbutanamide (PubChem CID 4995894) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound NameN-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenyl-N-prop-2-enylbutanamide
PubChem CID4995894
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenyl-N-prop-2-enylbutanamide
SMILESC=CCN(CC(=O)Nc1nccs1)C(=O)C(CC)c1ccccc1
InChIInChI=1S/C18H21N3O2S/c1-3-11-21(13-16(22)20-18-19-10-12-24-18)17(23)15(4-2)14-8-6-5-7-9-14/h3,5-10,12,15H,1,4,11,13H2,2H3,(H,19,20,22)
InChIKeyWAQVRCNQQJKGAH-UHFFFAOYSA-N
XLogP3.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenyl-N-prop-2-enylbutanamide
CID 3332397
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
(2S)-N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenylacetamide
CID 7261059
ethyl 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-prop-2-enylamino]acetate
CID 78977684
(2S)-N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-phenylbutanamide
CID 7361613
4-(2-phenylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 17361450
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyl-2-phenylbutanamide
CID 42770867
2-[benzyl(methyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134023
N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 814245
(2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide
CID 8762760
1-methyl-1-prop-2-enyl-3-(1,3-thiazol-2-yl)urea
CID 131176329
2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 86910837

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenyl-N-prop-2-enylbutanamide?
The IUPAC name of N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenyl-N-prop-2-enylbutanamide (CID 4995894) is N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenyl-N-prop-2-enylbutanamide.
What is the SMILES notation for N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenyl-N-prop-2-enylbutanamide?
The canonical SMILES for N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenyl-N-prop-2-enylbutanamide is C=CCN(CC(=O)Nc1nccs1)C(=O)C(CC)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenyl-N-prop-2-enylbutanamide?
The InChIKey is WAQVRCNQQJKGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-3-11-21(13-16(22)20-18-19-10-12-24-18)17(23)15(4-2)14-8-6-5-7-9-14/h3,5-10,12,15H,1,4,11,13H2,2H3,(H,19,20,22).
What are the key properties of N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenyl-N-prop-2-enylbutanamide?
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenyl-N-prop-2-enylbutanamide has a molecular weight of 343.45 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 4995894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).