2-chloro-N-methylthiophene-3-carboxamide

C6H6ClNOS — CID 146570971

IUPAC2-chloro-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1Cl
InChIInChI=1S/C6H6ClNOS/c1-8-6(9)4-2-3-10-5(4)7/h2-3H,1H3,(H,8,9)
InChIKeyNQTPMZPXZYYRAB-UHFFFAOYSA-N
MW175.64 g/mol
LogP1.76
Rot. Bonds1

About 2-chloro-N-methylthiophene-3-carboxamide

2-chloro-N-methylthiophene-3-carboxamide (PubChem CID 146570971) has the molecular formula C6H6ClNOS and a molecular weight of 175.64 g/mol. Its IUPAC name is 2-chloro-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methylthiophene-3-carboxamide
PubChem CID146570971
Molecular FormulaC6H6ClNOS
Molecular Weight175.64 g/mol
Exact Mass174.99
IUPAC Name2-chloro-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1Cl
InChIInChI=1S/C6H6ClNOS/c1-8-6(9)4-2-3-10-5(4)7/h2-3H,1H3,(H,8,9)
InChIKeyNQTPMZPXZYYRAB-UHFFFAOYSA-N
XLogP1.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.64
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methylthiophene-3-carboxamide
CID 819553
2,5-dichloro-N-(2-fluoroethyl)thiophene-3-carboxamide
CID 130829968
5-chloro-N-(2,2-difluoroethyl)thiophene-3-carboxamide
CID 131102984
2,5-dichloro-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 133943998
2-chloro-N-(2-fluoroethyl)thiophene-3-carboxamide
CID 178360291
2-chloro-N-(2,2-difluoroethyl)thiophene-3-carboxamide
CID 178364787
5-Chloro-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 178416387
2,5-dichloro-N-(3-methylbutan-2-yl)thiophene-3-carboxamide
CID 17409200
5-Chlorothiophene-3-carboxamide
CID 818858
N-ethyl-2-chloro-3-thiophenecarboxamide
CID 18630045
2-Chlorothiophene-3-carboxamide
CID 18938140
5-chloro-N-propan-2-ylthiophene-3-carboxamide
CID 20644636

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methylthiophene-3-carboxamide?
The IUPAC name of 2-chloro-N-methylthiophene-3-carboxamide (CID 146570971) is 2-chloro-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-chloro-N-methylthiophene-3-carboxamide?
The canonical SMILES for 2-chloro-N-methylthiophene-3-carboxamide is CNC(=O)c1ccsc1Cl.
What is the InChIKey of 2-chloro-N-methylthiophene-3-carboxamide?
The InChIKey is NQTPMZPXZYYRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNOS/c1-8-6(9)4-2-3-10-5(4)7/h2-3H,1H3,(H,8,9).
What are the key properties of 2-chloro-N-methylthiophene-3-carboxamide?
2-chloro-N-methylthiophene-3-carboxamide has a molecular weight of 175.64 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 146570971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).