5-chloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-2-carboxamide

C9H12ClNO3S — CID 66170632

IUPAC5-chloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-2-carboxamide
SMILESCC(O)(CO)CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H12ClNO3S/c1-9(14,5-12)4-11-8(13)6-2-3-7(10)15-6/h2-3,12,14H,4-5H2,1H3,(H,11,13)
InChIKeyOERRSTVTJHPFRE-UHFFFAOYSA-N
MW249.72 g/mol
LogP0.87
Rot. Bonds4

About 5-chloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-2-carboxamide

5-chloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-2-carboxamide (PubChem CID 66170632) has the molecular formula C9H12ClNO3S and a molecular weight of 249.72 g/mol. Its IUPAC name is 5-chloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-2-carboxamide
PubChem CID66170632
Molecular FormulaC9H12ClNO3S
Molecular Weight249.72 g/mol
Exact Mass249.02
IUPAC Name5-chloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-2-carboxamide
SMILESCC(O)(CO)CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H12ClNO3S/c1-9(14,5-12)4-11-8(13)6-2-3-7(10)15-6/h2-3,12,14H,4-5H2,1H3,(H,11,13)
InChIKeyOERRSTVTJHPFRE-UHFFFAOYSA-N
XLogP0.87
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide
CID 81483239
5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-2-carboxamide
CID 103772360
2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-3-carboxamide
CID 107963443
5-chloro-N-(3,3-dimethyl-2-oxobutyl)thiophene-2-carboxamide
CID 64991724
5-chloro-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-carboxamide
CID 64555417
2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66170217
N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide
CID 66171531
5-chloro-N-prop-2-ynylthiophene-2-carboxamide;propane
CID 143722959
5-chloro-N-(3-methyl-2-oxobutyl)thiophene-2-carboxamide
CID 64994287
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 9480604
2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66168619
N-(2,3-dihydroxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide
CID 66170627

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-2-carboxamide (CID 66170632) is 5-chloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-2-carboxamide is CC(O)(CO)CNC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is OERRSTVTJHPFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3S/c1-9(14,5-12)4-11-8(13)6-2-3-7(10)15-6/h2-3,12,14H,4-5H2,1H3,(H,11,13).
What are the key properties of 5-chloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-2-carboxamide?
5-chloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 249.72 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 66170632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).