5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-2-carboxamide

C11H16ClNO2S — CID 103772360

IUPAC5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-2-carboxamide
SMILESCC(C)(CCO)CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO2S/c1-11(2,5-6-14)7-13-10(15)8-3-4-9(12)16-8/h3-4,14H,5-7H2,1-2H3,(H,13,15)
InChIKeyIBBARWBFSQXOOA-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.54
Rot. Bonds5

About 5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-2-carboxamide

5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-2-carboxamide (PubChem CID 103772360) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is 5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-2-carboxamide
PubChem CID103772360
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-2-carboxamide
SMILESCC(C)(CCO)CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO2S/c1-11(2,5-6-14)7-13-10(15)8-3-4-9(12)16-8/h3-4,14H,5-7H2,1-2H3,(H,13,15)
InChIKeyIBBARWBFSQXOOA-UHFFFAOYSA-N
XLogP2.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide
CID 81483239
5-chloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 66170632
N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 103825297
5-chloro-N-(3,3-dimethyl-2-oxobutyl)thiophene-2-carboxamide
CID 64991724
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111504992
5-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylthiophene-2-carboxamide
CID 103825053
N-(5-hydroxy-2,2-dimethylpentyl)-5-nitrothiophene-2-carboxamide
CID 103899714
5-chloro-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-carboxamide
CID 64555417
6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)pyridazine-3-carboxamide
CID 106140440
N-(4-bromo-2,2-dimethylbutyl)-5-ethylthiophene-2-carboxamide
CID 106143771
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 9480604
N-(3-chloro-2,2-dimethylpropyl)-5-methylthiophene-2-carboxamide
CID 115364549

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-2-carboxamide (CID 103772360) is 5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-2-carboxamide is CC(C)(CCO)CNC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-2-carboxamide?
The InChIKey is IBBARWBFSQXOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-11(2,5-6-14)7-13-10(15)8-3-4-9(12)16-8/h3-4,14H,5-7H2,1-2H3,(H,13,15).
What are the key properties of 5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-2-carboxamide?
5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-2-carboxamide has a molecular weight of 261.77 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 103772360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).