3-(difluoromethylsulfanyl)-N-[(3-hydroxycyclohexyl)methyl]thiophene-2-carboxamide

C13H17F2NO2S2 — CID 111459782

IUPAC3-(difluoromethylsulfanyl)-N-[(3-hydroxycyclohexyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CCCC(O)C1)c1sccc1SC(F)F
InChIInChI=1S/C13H17F2NO2S2/c14-13(15)20-10-4-5-19-11(10)12(18)16-7-8-2-1-3-9(17)6-8/h4-5,8-9,13,17H,1-3,6-7H2,(H,16,18)
InChIKeyFCCVJVNURIWHPW-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.34
Rot. Bonds5

About 3-(difluoromethylsulfanyl)-N-[(3-hydroxycyclohexyl)methyl]thiophene-2-carboxamide

3-(difluoromethylsulfanyl)-N-[(3-hydroxycyclohexyl)methyl]thiophene-2-carboxamide (PubChem CID 111459782) has the molecular formula C13H17F2NO2S2 and a molecular weight of 321.41 g/mol. Its IUPAC name is 3-(difluoromethylsulfanyl)-N-[(3-hydroxycyclohexyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethylsulfanyl)-N-[(3-hydroxycyclohexyl)methyl]thiophene-2-carboxamide
PubChem CID111459782
Molecular FormulaC13H17F2NO2S2
Molecular Weight321.41 g/mol
Exact Mass321.07
IUPAC Name3-(difluoromethylsulfanyl)-N-[(3-hydroxycyclohexyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CCCC(O)C1)c1sccc1SC(F)F
InChIInChI=1S/C13H17F2NO2S2/c14-13(15)20-10-4-5-19-11(10)12(18)16-7-8-2-1-3-9(17)6-8/h4-5,8-9,13,17H,1-3,6-7H2,(H,16,18)
InChIKeyFCCVJVNURIWHPW-UHFFFAOYSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethylsulfanyl)-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279883
N-[(3-bromocyclohexyl)methyl]-3-chlorothiophene-2-carboxamide
CID 106133249
3-[[(3-hydroxycyclohexyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 106137034
N-(cyclobutylmethyl)-3-methylthiophene-2-carboxamide
CID 94169217
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
N-[(3-hydroxycyclohexyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 103690758
N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 113241300
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
3,4-dihydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103957239
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315
4-chloro-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691203

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfanyl)-N-[(3-hydroxycyclohexyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-(difluoromethylsulfanyl)-N-[(3-hydroxycyclohexyl)methyl]thiophene-2-carboxamide (CID 111459782) is 3-(difluoromethylsulfanyl)-N-[(3-hydroxycyclohexyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethylsulfanyl)-N-[(3-hydroxycyclohexyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-(difluoromethylsulfanyl)-N-[(3-hydroxycyclohexyl)methyl]thiophene-2-carboxamide is O=C(NCC1CCCC(O)C1)c1sccc1SC(F)F.
What is the InChIKey of 3-(difluoromethylsulfanyl)-N-[(3-hydroxycyclohexyl)methyl]thiophene-2-carboxamide?
The InChIKey is FCCVJVNURIWHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2S2/c14-13(15)20-10-4-5-19-11(10)12(18)16-7-8-2-1-3-9(17)6-8/h4-5,8-9,13,17H,1-3,6-7H2,(H,16,18).
What are the key properties of 3-(difluoromethylsulfanyl)-N-[(3-hydroxycyclohexyl)methyl]thiophene-2-carboxamide?
3-(difluoromethylsulfanyl)-N-[(3-hydroxycyclohexyl)methyl]thiophene-2-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfanyl)-N-[(3-hydroxycyclohexyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 111459782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).