3-chloro-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide

C9H12ClNO2S — CID 83186616

IUPAC3-chloro-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
SMILESCC(CCO)NC(=O)c1sccc1Cl
InChIInChI=1S/C9H12ClNO2S/c1-6(2-4-12)11-9(13)8-7(10)3-5-14-8/h3,5-6,12H,2,4H2,1H3,(H,11,13)
InChIKeyAEPMXPCRGYQYKW-UHFFFAOYSA-N
MW233.72 g/mol
LogP1.90
Rot. Bonds4

About 3-chloro-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide

3-chloro-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide (PubChem CID 83186616) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is 3-chloro-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
PubChem CID83186616
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC Name3-chloro-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
SMILESCC(CCO)NC(=O)c1sccc1Cl
InChIInChI=1S/C9H12ClNO2S/c1-6(2-4-12)11-9(13)8-7(10)3-5-14-8/h3,5-6,12H,2,4H2,1H3,(H,11,13)
InChIKeyAEPMXPCRGYQYKW-UHFFFAOYSA-N
XLogP1.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 80645329
3-amino-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 83176272
3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 80642584
(2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 107564389
N-(1-bromo-3-methylbutan-2-yl)-3-chlorothiophene-2-carboxamide
CID 114316213
methyl 2-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoate
CID 80641746
diethyl 2-[(3-chlorothiophene-2-carbonyl)amino]propanedioate
CID 80642748
4-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81063453
N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 81041290
3-[(3-chlorothiophene-2-carbonyl)amino]-2-methylpropanoic acid
CID 80645417
N-(1-chloropropan-2-yl)-3-methylthiophene-2-carboxamide
CID 114299504
3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide
CID 97019669

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide (CID 83186616) is 3-chloro-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide is CC(CCO)NC(=O)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide?
The InChIKey is AEPMXPCRGYQYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S/c1-6(2-4-12)11-9(13)8-7(10)3-5-14-8/h3,5-6,12H,2,4H2,1H3,(H,11,13).
What are the key properties of 3-chloro-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide?
3-chloro-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide has a molecular weight of 233.72 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 83186616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).