3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide

C10H14ClNO2S — CID 80642584

IUPAC3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
SMILESCC(C)C(CO)NC(=O)c1sccc1Cl
InChIInChI=1S/C10H14ClNO2S/c1-6(2)8(5-13)12-10(14)9-7(11)3-4-15-9/h3-4,6,8,13H,5H2,1-2H3,(H,12,14)
InChIKeyFMGNNPAKFXQHBI-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.15
Rot. Bonds4

About 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide

3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide (PubChem CID 80642584) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
PubChem CID80642584
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
SMILESCC(C)C(CO)NC(=O)c1sccc1Cl
InChIInChI=1S/C10H14ClNO2S/c1-6(2)8(5-13)12-10(14)9-7(11)3-4-15-9/h3-4,6,8,13H,5H2,1-2H3,(H,12,14)
InChIKeyFMGNNPAKFXQHBI-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-bromo-3-methylbutan-2-yl)-3-chlorothiophene-2-carboxamide
CID 114316213
3-chloro-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 83186616
4-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 80645329
methyl 2-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoate
CID 80641746
(2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 107564389
diethyl 2-[(3-chlorothiophene-2-carbonyl)amino]propanedioate
CID 80642748
4-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81063453
3-[(3-chlorothiophene-2-carbonyl)amino]-2-methylpropanoic acid
CID 80645417
3-bromo-N-(1-chloro-4-methylpentan-3-yl)thiophene-2-carboxamide
CID 106354869
3,6-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 79249197
3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79252918
N-(1-bromo-3-methylbutan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103406104

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide (CID 80642584) is 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide is CC(C)C(CO)NC(=O)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide?
The InChIKey is FMGNNPAKFXQHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-6(2)8(5-13)12-10(14)9-7(11)3-4-15-9/h3-4,6,8,13H,5H2,1-2H3,(H,12,14).
What are the key properties of 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide?
3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide has a molecular weight of 247.75 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 80642584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).