3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-4-methylthiophene-2-carboxamide

C13H18ClNO2S — CID 103403343

IUPAC3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)N(CCCO)C2CCC2)c1Cl
InChIInChI=1S/C13H18ClNO2S/c1-9-8-18-12(11(9)14)13(17)15(6-3-7-16)10-4-2-5-10/h8,10,16H,2-7H2,1H3
InChIKeyOKFLHEFUJPEITA-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.09
Rot. Bonds5

About 3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-4-methylthiophene-2-carboxamide

3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-4-methylthiophene-2-carboxamide (PubChem CID 103403343) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-4-methylthiophene-2-carboxamide
PubChem CID103403343
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)N(CCCO)C2CCC2)c1Cl
InChIInChI=1S/C13H18ClNO2S/c1-9-8-18-12(11(9)14)13(17)15(6-3-7-16)10-4-2-5-10/h8,10,16H,2-7H2,1H3
InChIKeyOKFLHEFUJPEITA-UHFFFAOYSA-N
XLogP3.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-methylthiophene-2-carboxamide
CID 103405905
N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-cyclopentyl-4-methylthiophene-2-carboxamide
CID 103401827
N-cyclobutyl-3-ethyl-N-(3-hydroxypropyl)thiophene-2-carboxamide
CID 102867056
3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 102866935
N-cyclopentyl-N-(2-hydroxyethyl)-3-methylthiophene-2-carboxamide
CID 54994213
3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide
CID 107097897
3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102860909
N-(3-bromopropyl)-N-cyclobutyl-3-methylthiophene-2-carboxamide
CID 102872297
N-cyclobutyl-N-(3-hydroxypropyl)thiophene-3-carboxamide
CID 102866076
5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
CID 102858844
3-chloro-N-(2-chloroethyl)-N-cyclobutylthiophene-2-carboxamide
CID 102872856
3-chloro-N-(3-hydroxybutyl)-N,4-dimethylthiophene-2-carboxamide
CID 103403296

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-4-methylthiophene-2-carboxamide (CID 103403343) is 3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)N(CCCO)C2CCC2)c1Cl.
What is the InChIKey of 3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-4-methylthiophene-2-carboxamide?
The InChIKey is OKFLHEFUJPEITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-9-8-18-12(11(9)14)13(17)15(6-3-7-16)10-4-2-5-10/h8,10,16H,2-7H2,1H3.
What are the key properties of 3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-4-methylthiophene-2-carboxamide?
3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-4-methylthiophene-2-carboxamide has a molecular weight of 287.81 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103403343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).