5-chloro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide

C11H14ClNO2S — CID 2970308

IUPAC5-chloro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Cl)s1)C1CCCO1
InChIInChI=1S/C11H14ClNO2S/c1-7(8-3-2-6-15-8)13-11(14)9-4-5-10(12)16-9/h4-5,7-8H,2-3,6H2,1H3,(H,13,14)
InChIKeyXFKZUYGPQMBHEA-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.70
Rot. Bonds3

About 5-chloro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide

5-chloro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 2970308) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 5-chloro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID2970308
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name5-chloro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Cl)s1)C1CCCO1
InChIInChI=1S/C11H14ClNO2S/c1-7(8-3-2-6-15-8)13-11(14)9-4-5-10(12)16-9/h4-5,7-8H,2-3,6H2,1H3,(H,13,14)
InChIKeyXFKZUYGPQMBHEA-UHFFFAOYSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophene-2-carboxamide, N-tetrahydrofurfuryl-
CID 531922
Ethyl (5-chlorothiophene-2-carbonyl)glycinate
CID 2225367
N-[1-(tetrahydro-2-furanyl)ethyl]-2-thiophenecarboxamide
CID 6466209
5-ethyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide
CID 6468094
5-bromo-N-[1-(tetrahydro-2-furanyl)ethyl]-2-thiophenecarboxamide
CID 2971594
5-Chloro-N-(((S)-oxiran-2-yl)methyl)thiophene-2-carboxamide
CID 53235992
5-methyl-N-[1-(tetrahydro-2-furanyl)ethyl]-3-thiophenecarboxamide
CID 2971322
5-ethyl-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
CID 6469551
5-chloro-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 17217261
5-chloro-N-[(3S*,4S*)-1-ethyl-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide
CID 91764959
5-chloro-N-(octahydrobenzo[b][1,4]dioxin-6-yl)thiophene-2-carboxamide
CID 92091782
(5-chlorothiophen-2-yl)-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 93611779

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide (CID 2970308) is 5-chloro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide is CC(NC(=O)c1ccc(Cl)s1)C1CCCO1.
What is the InChIKey of 5-chloro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is XFKZUYGPQMBHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-7(8-3-2-6-15-8)13-11(14)9-4-5-10(12)16-9/h4-5,7-8H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 5-chloro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide?
5-chloro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 259.76 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 2970308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).