(2S)-N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenylacetamide

C17H20ClN3O2S — CID 7261059

IUPAC(2S)-N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenylacetamide
SMILESCC(C)(C)N(CC(=O)Nc1nccs1)C(=O)[C@@H](Cl)c1ccccc1
InChIInChI=1S/C17H20ClN3O2S/c1-17(2,3)21(11-13(22)20-16-19-9-10-24-16)15(23)14(18)12-7-5-4-6-8-12/h4-10,14H,11H2,1-3H3,(H,19,20,22)/t14-/m0/s1
InChIKeyZQRTYOOPSRTQIZ-AWEZNQCLSA-N
MW365.89 g/mol
LogP3.69
Rot. Bonds5

About (2S)-N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenylacetamide

(2S)-N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenylacetamide (PubChem CID 7261059) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenylacetamide
PubChem CID7261059
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name(2S)-N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenylacetamide
SMILESCC(C)(C)N(CC(=O)Nc1nccs1)C(=O)[C@@H](Cl)c1ccccc1
InChIInChI=1S/C17H20ClN3O2S/c1-17(2,3)21(11-13(22)20-16-19-9-10-24-16)15(23)14(18)12-7-5-4-6-8-12/h4-10,14H,11H2,1-3H3,(H,19,20,22)/t14-/m0/s1
InChIKeyZQRTYOOPSRTQIZ-AWEZNQCLSA-N
XLogP3.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 3683934
4-bromo-N-tert-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 3494615
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenyl-N-prop-2-enylbutanamide
CID 4995894
2-[benzyl(methyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134023
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
N-tert-butyl-4-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 4067037
N'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide
CID 23964431
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
2-(dimethylamino)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 47839437
2-chloro-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
CID 3412435
3-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 4221665
2-[(4-tert-butylphenyl)methyl-methylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134032

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenylacetamide?
The IUPAC name of (2S)-N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenylacetamide (CID 7261059) is (2S)-N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenylacetamide?
The canonical SMILES for (2S)-N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenylacetamide is CC(C)(C)N(CC(=O)Nc1nccs1)C(=O)[C@@H](Cl)c1ccccc1.
What is the InChIKey of (2S)-N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenylacetamide?
The InChIKey is ZQRTYOOPSRTQIZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-17(2,3)21(11-13(22)20-16-19-9-10-24-16)15(23)14(18)12-7-5-4-6-8-12/h4-10,14H,11H2,1-3H3,(H,19,20,22)/t14-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenylacetamide?
(2S)-N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenylacetamide has a molecular weight of 365.89 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenylacetamide is sourced from PubChem (CID 7261059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).