N-(2-chloroprop-2-enyl)-4-methylthiophene-2-carboxamide

C9H10ClNOS — CID 130835210

IUPACN-(2-chloroprop-2-enyl)-4-methylthiophene-2-carboxamide
SMILESC=C(Cl)CNC(=O)c1cc(C)cs1
InChIInChI=1S/C9H10ClNOS/c1-6-3-8(13-5-6)9(12)11-4-7(2)10/h3,5H,2,4H2,1H3,(H,11,12)
InChIKeyMHCPPKHIGOZIHU-UHFFFAOYSA-N
MW215.70 g/mol
LogP2.54
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-4-methylthiophene-2-carboxamide

N-(2-chloroprop-2-enyl)-4-methylthiophene-2-carboxamide (PubChem CID 130835210) has the molecular formula C9H10ClNOS and a molecular weight of 215.70 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-4-methylthiophene-2-carboxamide
PubChem CID130835210
Molecular FormulaC9H10ClNOS
Molecular Weight215.70 g/mol
Exact Mass215.02
IUPAC NameN-(2-chloroprop-2-enyl)-4-methylthiophene-2-carboxamide
SMILESC=C(Cl)CNC(=O)c1cc(C)cs1
InChIInChI=1S/C9H10ClNOS/c1-6-3-8(13-5-6)9(12)11-4-7(2)10/h3,5H,2,4H2,1H3,(H,11,12)
InChIKeyMHCPPKHIGOZIHU-UHFFFAOYSA-N
XLogP2.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[2-(triazol-2-yl)ethyl]thiophene-2-carboxamide
CID 121177066
N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide
CID 110861467
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-methylthiophene-2-carboxamide
CID 90623686
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methylthiophene-2-carboxamide
CID 95983247
2-[[(4-methylthiophene-2-carbonyl)amino]methyl]-2-phenylbutanoic acid
CID 138054879
N-(2-chloroprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 115636734
N-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 115636549
4-chloro-N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide
CID 130653904
N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]-4-methylthiophene-2-carboxamide
CID 122160666
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiophene-2-carboxamide
CID 95984279
N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide
CID 98783777
N-(2-chloroprop-2-enyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 115636897

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-4-methylthiophene-2-carboxamide (CID 130835210) is N-(2-chloroprop-2-enyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-4-methylthiophene-2-carboxamide is C=C(Cl)CNC(=O)c1cc(C)cs1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-4-methylthiophene-2-carboxamide?
The InChIKey is MHCPPKHIGOZIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNOS/c1-6-3-8(13-5-6)9(12)11-4-7(2)10/h3,5H,2,4H2,1H3,(H,11,12).
What are the key properties of N-(2-chloroprop-2-enyl)-4-methylthiophene-2-carboxamide?
N-(2-chloroprop-2-enyl)-4-methylthiophene-2-carboxamide has a molecular weight of 215.70 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 130835210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).