N-butan-2-yl-3-chloro-4-methylthiophene-2-carboxamide

C10H14ClNOS — CID 103402961

IUPACN-butan-2-yl-3-chloro-4-methylthiophene-2-carboxamide
SMILESCCC(C)NC(=O)c1scc(C)c1Cl
InChIInChI=1S/C10H14ClNOS/c1-4-7(3)12-10(13)9-8(11)6(2)5-14-9/h5,7H,4H2,1-3H3,(H,12,13)
InChIKeyOMXZHWUFMCWVFN-UHFFFAOYSA-N
MW231.75 g/mol
LogP3.24
Rot. Bonds3

About N-butan-2-yl-3-chloro-4-methylthiophene-2-carboxamide

N-butan-2-yl-3-chloro-4-methylthiophene-2-carboxamide (PubChem CID 103402961) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is N-butan-2-yl-3-chloro-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-chloro-4-methylthiophene-2-carboxamide
PubChem CID103402961
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC NameN-butan-2-yl-3-chloro-4-methylthiophene-2-carboxamide
SMILESCCC(C)NC(=O)c1scc(C)c1Cl
InChIInChI=1S/C10H14ClNOS/c1-4-7(3)12-10(13)9-8(11)6(2)5-14-9/h5,7H,4H2,1-3H3,(H,12,13)
InChIKeyOMXZHWUFMCWVFN-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 103399973
N-(1-bromo-3-methylbutan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103406104
3-chloro-N-(1-cyanoethyl)-4-methylthiophene-2-carboxamide
CID 103401616
3-chloro-N-(1,1-dimethoxypropan-2-yl)-4-methylthiophene-2-carboxamide
CID 103401856
3-chloro-N-(3-chloropentyl)-4-methylthiophene-2-carboxamide
CID 103406198
N-(1-bromo-3-methoxypropan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide
CID 106184622
N-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103400298
3-chloro-N-(1,3-dibromo-2-methylpropan-2-yl)-4-methylthiophene-2-carboxamide
CID 103406130
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103404961
N-(4-bromobutyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 106846016
N-but-3-ynyl-3-chloro-4-methylthiophene-2-carboxamide
CID 103405315
2-bromo-1-(3-chloro-4-methylthiophen-2-yl)ethanone
CID 103407197

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-chloro-4-methylthiophene-2-carboxamide?
The IUPAC name of N-butan-2-yl-3-chloro-4-methylthiophene-2-carboxamide (CID 103402961) is N-butan-2-yl-3-chloro-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-chloro-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-butan-2-yl-3-chloro-4-methylthiophene-2-carboxamide is CCC(C)NC(=O)c1scc(C)c1Cl.
What is the InChIKey of N-butan-2-yl-3-chloro-4-methylthiophene-2-carboxamide?
The InChIKey is OMXZHWUFMCWVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-4-7(3)12-10(13)9-8(11)6(2)5-14-9/h5,7H,4H2,1-3H3,(H,12,13).
What are the key properties of N-butan-2-yl-3-chloro-4-methylthiophene-2-carboxamide?
N-butan-2-yl-3-chloro-4-methylthiophene-2-carboxamide has a molecular weight of 231.75 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-chloro-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103402961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).