N-[2-(hydroxyamino)-2-oxo-1-(4-thiophen-3-ylphenyl)ethyl]-2,2-dimethylpropanamide

C17H20N2O3S — CID 127039575

IUPACN-[2-(hydroxyamino)-2-oxo-1-(4-thiophen-3-ylphenyl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(C(=O)NO)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-17(2,3)16(21)18-14(15(20)19-22)12-6-4-11(5-7-12)13-8-9-23-10-13/h4-10,14,22H,1-3H3,(H,18,21)(H,19,20)
InChIKeyMHNLFRWKFJGARR-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.12
Rot. Bonds4

About N-[2-(hydroxyamino)-2-oxo-1-(4-thiophen-3-ylphenyl)ethyl]-2,2-dimethylpropanamide

N-[2-(hydroxyamino)-2-oxo-1-(4-thiophen-3-ylphenyl)ethyl]-2,2-dimethylpropanamide (PubChem CID 127039575) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[2-(hydroxyamino)-2-oxo-1-(4-thiophen-3-ylphenyl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(hydroxyamino)-2-oxo-1-(4-thiophen-3-ylphenyl)ethyl]-2,2-dimethylpropanamide
PubChem CID127039575
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[2-(hydroxyamino)-2-oxo-1-(4-thiophen-3-ylphenyl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(C(=O)NO)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-17(2,3)16(21)18-14(15(20)19-22)12-6-4-11(5-7-12)13-8-9-23-10-13/h4-10,14,22H,1-3H3,(H,18,21)(H,19,20)
InChIKeyMHNLFRWKFJGARR-UHFFFAOYSA-N
XLogP3.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Batimastat
CID 5362422
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(thiophen-3-yl)phenyl]ethyl]amino}pentanamide
CID 10150891
2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-dicarboxamide
CID 10017099
Batimastat (BB-94)
CID 2299
(R)-N*1*-((R)-2-Benzo[b]thiophen-3-yl-1-methylcarbamoyl-ethyl)-N*4*-hydroxy-2-isobutyl-succinamide
CID 44310863
4-[(3R)-3-{[2-oxo-2-(thiophen-3-yl)ethyl]amino}butyl]benzamide
CID 23647084
Proline scaffold, 28
CID 42618125
N-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 2971490
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487
5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
CID 4787702
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 4788028
N-(2-{[2-(4-methylphenyl)ethyl]amino}-2-oxoethyl)thiophene-2-carboxamide
CID 5127938

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxyamino)-2-oxo-1-(4-thiophen-3-ylphenyl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(hydroxyamino)-2-oxo-1-(4-thiophen-3-ylphenyl)ethyl]-2,2-dimethylpropanamide (CID 127039575) is N-[2-(hydroxyamino)-2-oxo-1-(4-thiophen-3-ylphenyl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(hydroxyamino)-2-oxo-1-(4-thiophen-3-ylphenyl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(hydroxyamino)-2-oxo-1-(4-thiophen-3-ylphenyl)ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC(C(=O)NO)c1ccc(-c2ccsc2)cc1.
What is the InChIKey of N-[2-(hydroxyamino)-2-oxo-1-(4-thiophen-3-ylphenyl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is MHNLFRWKFJGARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-17(2,3)16(21)18-14(15(20)19-22)12-6-4-11(5-7-12)13-8-9-23-10-13/h4-10,14,22H,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(hydroxyamino)-2-oxo-1-(4-thiophen-3-ylphenyl)ethyl]-2,2-dimethylpropanamide?
N-[2-(hydroxyamino)-2-oxo-1-(4-thiophen-3-ylphenyl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 332.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxyamino)-2-oxo-1-(4-thiophen-3-ylphenyl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 127039575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).