5-chloro-N-methylthiophene-2-carboxamide

C6H6ClNOS — CID 13411287

IUPAC5-chloro-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C6H6ClNOS/c1-8-6(9)4-2-3-5(7)10-4/h2-3H,1H3,(H,8,9)
InChIKeyMMUAGEONOOXRBQ-UHFFFAOYSA-N
MW175.64 g/mol
LogP1.76
Rot. Bonds1

About 5-chloro-N-methylthiophene-2-carboxamide

5-chloro-N-methylthiophene-2-carboxamide (PubChem CID 13411287) has the molecular formula C6H6ClNOS and a molecular weight of 175.64 g/mol. Its IUPAC name is 5-chloro-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methylthiophene-2-carboxamide
PubChem CID13411287
Molecular FormulaC6H6ClNOS
Molecular Weight175.64 g/mol
Exact Mass174.99
IUPAC Name5-chloro-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C6H6ClNOS/c1-8-6(9)4-2-3-5(7)10-4/h2-3H,1H3,(H,8,9)
InChIKeyMMUAGEONOOXRBQ-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

5-chloro-N-cyclopentylthiophene-2-carboxamide
CID 1244060
5-Chlorothiophene-2-carboxamide
CID 5172545
3-Chloro-2-thiophenecarboxamide
CID 2808088
N-methylthiophene-2-carboxamide
CID 819552
N-[(5-Chloro-2-thienyl)carbonyl]glycine
CID 43239030
5-chloro-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 1246546
N,N'-butane-1,4-diylbis(5-chlorothiophene-2-carboxamide)
CID 3100298
(5-Chlorothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467948
5-chloro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 1246945
5-chloro-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-2-thiophenecarboxamide
CID 845133
(5-Chlorothiophen-2-yl)-pyrrolidin-1-ylmethanone
CID 1247382
N-[(5-chlorothiophen-2-yl)methyl]thiophene-2-carboxamide
CID 32828451

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-methylthiophene-2-carboxamide (CID 13411287) is 5-chloro-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-methylthiophene-2-carboxamide is CNC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-methylthiophene-2-carboxamide?
The InChIKey is MMUAGEONOOXRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNOS/c1-8-6(9)4-2-3-5(7)10-4/h2-3H,1H3,(H,8,9).
What are the key properties of 5-chloro-N-methylthiophene-2-carboxamide?
5-chloro-N-methylthiophene-2-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 5-chloro-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 13411287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).