3-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-carboxamide

C10H14ClNO2S — CID 80642213

IUPAC3-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-carboxamide
SMILESCCC(C)(O)CNC(=O)c1sccc1Cl
InChIInChI=1S/C10H14ClNO2S/c1-3-10(2,14)6-12-9(13)8-7(11)4-5-15-8/h4-5,14H,3,6H2,1-2H3,(H,12,13)
InChIKeyREBPHPITQLIPFJ-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.29
Rot. Bonds4

About 3-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-carboxamide

3-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-carboxamide (PubChem CID 80642213) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-carboxamide
PubChem CID80642213
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name3-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-carboxamide
SMILESCCC(C)(O)CNC(=O)c1sccc1Cl
InChIInChI=1S/C10H14ClNO2S/c1-3-10(2,14)6-12-9(13)8-7(11)4-5-15-8/h4-5,14H,3,6H2,1-2H3,(H,12,13)
InChIKeyREBPHPITQLIPFJ-UHFFFAOYSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 106244209
3-chloro-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-carboxamide
CID 106254396
ethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate
CID 80641030
N-(2-hydroxy-2-methylbutyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 65114528
3-[(3-chlorothiophene-2-carbonyl)amino]-2-methylpropanoic acid
CID 80645417
2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide
CID 95776247
3,6-dichloro-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide
CID 65107168
2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114916
3-chloro-N-(3-cyanopentan-3-yl)thiophene-2-carboxamide
CID 80644116
N-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198788
N-(3-bromopropyl)-3-chlorothiophene-2-carboxamide
CID 80641343
N-carbamoyl-3-chlorothiophene-2-carboxamide
CID 80642165

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-carboxamide (CID 80642213) is 3-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-carboxamide is CCC(C)(O)CNC(=O)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-carboxamide?
The InChIKey is REBPHPITQLIPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-3-10(2,14)6-12-9(13)8-7(11)4-5-15-8/h4-5,14H,3,6H2,1-2H3,(H,12,13).
What are the key properties of 3-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-carboxamide?
3-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-carboxamide has a molecular weight of 247.75 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 80642213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).