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

N-cyclohexylthiophene-2-carboxamide
CID 855035
3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525
N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
3-methyl-N-(2-methylcyclohexyl)thiophene-2-carboxamide
CID 25162656
N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 697434
2-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 896320

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).