5-chloro-N-propan-2-yloxythiophene-2-carboxamide

C8H10ClNO2S — CID 131162409

IUPAC5-chloro-N-propan-2-yloxythiophene-2-carboxamide
SMILESCC(C)ONC(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H10ClNO2S/c1-5(2)12-10-8(11)6-3-4-7(9)13-6/h3-5H,1-2H3,(H,10,11)
InChIKeyITQHAXLYLNINEQ-UHFFFAOYSA-N
MW219.69 g/mol
LogP2.47
Rot. Bonds3

About 5-chloro-N-propan-2-yloxythiophene-2-carboxamide

5-chloro-N-propan-2-yloxythiophene-2-carboxamide (PubChem CID 131162409) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is 5-chloro-N-propan-2-yloxythiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-propan-2-yloxythiophene-2-carboxamide
PubChem CID131162409
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name5-chloro-N-propan-2-yloxythiophene-2-carboxamide
SMILESCC(C)ONC(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H10ClNO2S/c1-5(2)12-10-8(11)6-3-4-7(9)13-6/h3-5H,1-2H3,(H,10,11)
InChIKeyITQHAXLYLNINEQ-UHFFFAOYSA-N
XLogP2.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide
CID 79030843
N-(1-aminopropan-2-yl)-5-chlorothiophene-2-carboxamide
CID 63733398
5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide
CID 3490004
N-(5-bromopentan-2-yl)-5-chlorothiophene-2-carboxamide
CID 114316562
5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide
CID 159200384
5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
diethyl 2-[(5-chlorothiophene-2-carbonyl)amino]propanedioate
CID 33241351
5-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-carboxamide
CID 63941006
5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide
CID 3668905
5-chloro-N-(3-methyl-2-oxobutyl)thiophene-2-carboxamide
CID 64994287
5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
CID 61247076
N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide
CID 81483239

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-propan-2-yloxythiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-propan-2-yloxythiophene-2-carboxamide (CID 131162409) is 5-chloro-N-propan-2-yloxythiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-propan-2-yloxythiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-propan-2-yloxythiophene-2-carboxamide is CC(C)ONC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-propan-2-yloxythiophene-2-carboxamide?
The InChIKey is ITQHAXLYLNINEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-5(2)12-10-8(11)6-3-4-7(9)13-6/h3-5H,1-2H3,(H,10,11).
What are the key properties of 5-chloro-N-propan-2-yloxythiophene-2-carboxamide?
5-chloro-N-propan-2-yloxythiophene-2-carboxamide has a molecular weight of 219.69 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-propan-2-yloxythiophene-2-carboxamide is sourced from PubChem (CID 131162409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).