5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide

C11H14ClNO2S — CID 91776294

IUPAC5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCC1CCOC1)c1ccc(Cl)s1
InChIInChI=1S/C11H14ClNO2S/c12-10-2-1-9(16-10)11(14)13-5-3-8-4-6-15-7-8/h1-2,8H,3-7H2,(H,13,14)
InChIKeyNWHKCFHJVBUIDH-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.56
Rot. Bonds4

About 5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide

5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide (PubChem CID 91776294) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide
PubChem CID91776294
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCC1CCOC1)c1ccc(Cl)s1
InChIInChI=1S/C11H14ClNO2S/c12-10-2-1-9(16-10)11(14)13-5-3-8-4-6-15-7-8/h1-2,8H,3-7H2,(H,13,14)
InChIKeyNWHKCFHJVBUIDH-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(oxolan-3-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid
CID 114267590
4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415090
3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415088
N,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 121494638
4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 114131493
N-[2-(oxolan-3-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 114130505
5-chloro-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119621242
2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide
CID 114219715
5-chloro-N-[(3-chlorocyclopentyl)methyl]thiophene-2-carboxamide
CID 106126347
2-acetyl-N-[2-(oxan-3-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 122561636
2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-sulfanylbenzamide
CID 114130503
5-chloro-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]thiophene-2-carboxamide
CID 91788646

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide (CID 91776294) is 5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide is O=C(NCCC1CCOC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is NWHKCFHJVBUIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c12-10-2-1-9(16-10)11(14)13-5-3-8-4-6-15-7-8/h1-2,8H,3-7H2,(H,13,14).
What are the key properties of 5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide?
5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 259.76 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 91776294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).