N-hydroxy-N-(1-thiophen-2-ylethyl)propanamide

C9H13NO2S — CID 5061929

IUPACN-hydroxy-N-(1-thiophen-2-ylethyl)propanamide
SMILESCCC(=O)N(O)C(C)c1cccs1
InChIInChI=1S/C9H13NO2S/c1-3-9(11)10(12)7(2)8-5-4-6-13-8/h4-7,12H,3H2,1-2H3
InChIKeyBBDCMEOPRVGBQD-UHFFFAOYSA-N
MW199.28 g/mol
LogP2.44
Rot. Bonds3

About N-hydroxy-N-(1-thiophen-2-ylethyl)propanamide

N-hydroxy-N-(1-thiophen-2-ylethyl)propanamide (PubChem CID 5061929) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is N-hydroxy-N-(1-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound NameN-hydroxy-N-(1-thiophen-2-ylethyl)propanamide
PubChem CID5061929
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC NameN-hydroxy-N-(1-thiophen-2-ylethyl)propanamide
SMILESCCC(=O)N(O)C(C)c1cccs1
InChIInChI=1S/C9H13NO2S/c1-3-9(11)10(12)7(2)8-5-4-6-13-8/h4-7,12H,3H2,1-2H3
InChIKeyBBDCMEOPRVGBQD-UHFFFAOYSA-N
XLogP2.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one
CID 62040161
2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid
CID 65065392
4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one
CID 64696669
2-chloro-N-methoxy-N-(1-thiophen-2-ylethyl)acetamide
CID 166432017
4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid
CID 62214541
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
2-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 61109028
N-methyl-2-(4-sulfanylphenyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 107025959
3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide
CID 62668726
2-methyl-4-[methyl(thiophen-2-yl)amino]-4-oxobutanoic acid
CID 115164997
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
N-methyl-2-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 146124066

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-(1-thiophen-2-ylethyl)propanamide?
The IUPAC name of N-hydroxy-N-(1-thiophen-2-ylethyl)propanamide (CID 5061929) is N-hydroxy-N-(1-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for N-hydroxy-N-(1-thiophen-2-ylethyl)propanamide?
The canonical SMILES for N-hydroxy-N-(1-thiophen-2-ylethyl)propanamide is CCC(=O)N(O)C(C)c1cccs1.
What is the InChIKey of N-hydroxy-N-(1-thiophen-2-ylethyl)propanamide?
The InChIKey is BBDCMEOPRVGBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-3-9(11)10(12)7(2)8-5-4-6-13-8/h4-7,12H,3H2,1-2H3.
What are the key properties of N-hydroxy-N-(1-thiophen-2-ylethyl)propanamide?
N-hydroxy-N-(1-thiophen-2-ylethyl)propanamide has a molecular weight of 199.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-(1-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 5061929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).