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

C10H14ClNO2S — CID 64555417

IUPAC5-chloro-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-carboxamide
SMILESCCC(C)(CO)NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO2S/c1-3-10(2,6-13)12-9(14)7-4-5-8(11)15-7/h4-5,13H,3,6H2,1-2H3,(H,12,14)
InChIKeyMJRLCNGLAMTWAF-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.29
Rot. Bonds4

About 5-chloro-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-carboxamide

5-chloro-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-carboxamide (PubChem CID 64555417) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 5-chloro-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-carboxamide
PubChem CID64555417
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name5-chloro-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-carboxamide
SMILESCCC(C)(CO)NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO2S/c1-3-10(2,6-13)12-9(14)7-4-5-8(11)15-7/h4-5,13H,3,6H2,1-2H3,(H,12,14)
InChIKeyMJRLCNGLAMTWAF-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

5-chloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 66170632
N-(1-hydroxy-2-methylbutan-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 64556214
2-[(5-chlorothiophene-2-carbonyl)amino]-2-phenylbutanoic acid
CID 68637832
N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide
CID 81483239
5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide
CID 103945941
5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-2-carboxamide
CID 103772360
5-chloro-N-(3,3-dimethyl-2-oxobutyl)thiophene-2-carboxamide
CID 64991724
5-acetamido-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide
CID 103946183
N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 64556207
2-[(5-chlorothiophene-2-carbonyl)amino]-3-methoxy-2-(methoxymethyl)propanoic acid
CID 67456065
4-(hydroxymethyl)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64558344
5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide
CID 79030843

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-carboxamide (CID 64555417) is 5-chloro-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-carboxamide is CCC(C)(CO)NC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-carboxamide?
The InChIKey is MJRLCNGLAMTWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-3-10(2,6-13)12-9(14)7-4-5-8(11)15-7/h4-5,13H,3,6H2,1-2H3,(H,12,14).
What are the key properties of 5-chloro-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-carboxamide?
5-chloro-N-(1-hydroxy-2-methylbutan-2-yl)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 5-chloro-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 64555417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).