5-chloro-N-(3,3-dimethyl-2-oxobutyl)thiophene-2-carboxamide

C11H14ClNO2S — CID 64991724

IUPAC5-chloro-N-(3,3-dimethyl-2-oxobutyl)thiophene-2-carboxamide
SMILESCC(C)(C)C(=O)CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H14ClNO2S/c1-11(2,3)8(14)6-13-10(15)7-4-5-9(12)16-7/h4-5H,6H2,1-3H3,(H,13,15)
InChIKeyLBQIBBAGWCEKGE-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.75
Rot. Bonds3

About 5-chloro-N-(3,3-dimethyl-2-oxobutyl)thiophene-2-carboxamide

5-chloro-N-(3,3-dimethyl-2-oxobutyl)thiophene-2-carboxamide (PubChem CID 64991724) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 5-chloro-N-(3,3-dimethyl-2-oxobutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3,3-dimethyl-2-oxobutyl)thiophene-2-carboxamide
PubChem CID64991724
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name5-chloro-N-(3,3-dimethyl-2-oxobutyl)thiophene-2-carboxamide
SMILESCC(C)(C)C(=O)CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H14ClNO2S/c1-11(2,3)8(14)6-13-10(15)7-4-5-9(12)16-7/h4-5H,6H2,1-3H3,(H,13,15)
InChIKeyLBQIBBAGWCEKGE-UHFFFAOYSA-N
XLogP2.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide
CID 81483239
5-chloro-N-(3-methyl-2-oxobutyl)thiophene-2-carboxamide
CID 64994287
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 9480604
5-chloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 66170632
5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-2-carboxamide
CID 103772360
2-[[2-[(5-chlorothiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43387544
5-chloro-N-prop-2-ynylthiophene-2-carboxamide;propane
CID 143722959
5-chloro-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 58248868
2-chloro-N-(3,3-dimethyl-2-oxobutyl)benzamide
CID 64991561
5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide
CID 3490004
5-chloro-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-carboxamide
CID 64555417
1-(5-chlorothiophen-2-yl)butane-1,3-dione
CID 43439048

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,3-dimethyl-2-oxobutyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(3,3-dimethyl-2-oxobutyl)thiophene-2-carboxamide (CID 64991724) is 5-chloro-N-(3,3-dimethyl-2-oxobutyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3,3-dimethyl-2-oxobutyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3,3-dimethyl-2-oxobutyl)thiophene-2-carboxamide is CC(C)(C)C(=O)CNC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(3,3-dimethyl-2-oxobutyl)thiophene-2-carboxamide?
The InChIKey is LBQIBBAGWCEKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-11(2,3)8(14)6-13-10(15)7-4-5-9(12)16-7/h4-5H,6H2,1-3H3,(H,13,15).
What are the key properties of 5-chloro-N-(3,3-dimethyl-2-oxobutyl)thiophene-2-carboxamide?
5-chloro-N-(3,3-dimethyl-2-oxobutyl)thiophene-2-carboxamide has a molecular weight of 259.76 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,3-dimethyl-2-oxobutyl)thiophene-2-carboxamide is sourced from PubChem (CID 64991724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).