5-chloro-N-(3-methyl-2-oxobutyl)thiophene-2-carboxamide

C10H12ClNO2S — CID 64994287

IUPAC5-chloro-N-(3-methyl-2-oxobutyl)thiophene-2-carboxamide
SMILESCC(C)C(=O)CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClNO2S/c1-6(2)7(13)5-12-10(14)8-3-4-9(11)15-8/h3-4,6H,5H2,1-2H3,(H,12,14)
InChIKeyZXKODZWCAJOEGA-UHFFFAOYSA-N
MW245.73 g/mol
LogP2.36
Rot. Bonds4

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

5-chloro-N-(3-methyl-2-oxobutyl)thiophene-2-carboxamide (PubChem CID 64994287) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is 5-chloro-N-(3-methyl-2-oxobutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-methyl-2-oxobutyl)thiophene-2-carboxamide
PubChem CID64994287
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name5-chloro-N-(3-methyl-2-oxobutyl)thiophene-2-carboxamide
SMILESCC(C)C(=O)CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClNO2S/c1-6(2)7(13)5-12-10(14)8-3-4-9(11)15-8/h3-4,6H,5H2,1-2H3,(H,12,14)
InChIKeyZXKODZWCAJOEGA-UHFFFAOYSA-N
XLogP2.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[2-(dimethylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 9480604
5-chloro-N-(3,3-dimethyl-2-oxobutyl)thiophene-2-carboxamide
CID 64991724
5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide
CID 3490004
2-[[2-[(5-chlorothiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43387544
4-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81064597
N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide
CID 81483239
N-(1-aminopropan-2-yl)-5-chlorothiophene-2-carboxamide
CID 63733398
5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide
CID 79030843
5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide
CID 78109019
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
5-chloro-N-(2-hydroxypentyl)thiophene-2-carboxamide
CID 115700935

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methyl-2-oxobutyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-methyl-2-oxobutyl)thiophene-2-carboxamide (CID 64994287) is 5-chloro-N-(3-methyl-2-oxobutyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-methyl-2-oxobutyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-methyl-2-oxobutyl)thiophene-2-carboxamide is CC(C)C(=O)CNC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(3-methyl-2-oxobutyl)thiophene-2-carboxamide?
The InChIKey is ZXKODZWCAJOEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c1-6(2)7(13)5-12-10(14)8-3-4-9(11)15-8/h3-4,6H,5H2,1-2H3,(H,12,14).
What are the key properties of 5-chloro-N-(3-methyl-2-oxobutyl)thiophene-2-carboxamide?
5-chloro-N-(3-methyl-2-oxobutyl)thiophene-2-carboxamide has a molecular weight of 245.73 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methyl-2-oxobutyl)thiophene-2-carboxamide is sourced from PubChem (CID 64994287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).