3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide

C16H21F3N2O4S2 — CID 55535803

IUPAC3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1sccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H21F3N2O4S2/c17-16(18,19)11-2-1-3-12(10-11)20-15(22)14-13(4-9-26-14)27(23,24)21-5-7-25-8-6-21/h4,9,11-12H,1-3,5-8,10H2,(H,20,22)
InChIKeyOYILPSVTXMBQKW-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.62
Rot. Bonds4

About 3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide

3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide (PubChem CID 55535803) has the molecular formula C16H21F3N2O4S2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
PubChem CID55535803
Molecular FormulaC16H21F3N2O4S2
Molecular Weight426.48 g/mol
Exact Mass426.09
IUPAC Name3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1sccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H21F3N2O4S2/c17-16(18,19)11-2-1-3-12(10-11)20-15(22)14-13(4-9-26-14)27(23,24)21-5-7-25-8-6-21/h4,9,11-12H,1-3,5-8,10H2,(H,20,22)
InChIKeyOYILPSVTXMBQKW-UHFFFAOYSA-N
XLogP2.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 24670564
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 119455908
3-morpholin-4-ylsulfonyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119386595
tert-butyl 4-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]piperidine-1-carboxylate
CID 55985527
N-cycloheptyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 27374234
3-morpholin-4-ylsulfonylthiophene-2-carbohydrazide
CID 16646041
N-cyclooctyl-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 27375055
N-(4-aminocyclohexyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 119475088
N-cyclopentyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide
CID 51297984
tert-butyl N-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]carbamate
CID 55736034
N-(1-adamantylmethyl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 38075450
2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid
CID 119249833

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide (CID 55535803) is 3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide is O=C(NC1CCCC(C(F)(F)F)C1)c1sccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide?
The InChIKey is OYILPSVTXMBQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O4S2/c17-16(18,19)11-2-1-3-12(10-11)20-15(22)14-13(4-9-26-14)27(23,24)21-5-7-25-8-6-21/h4,9,11-12H,1-3,5-8,10H2,(H,20,22).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide?
3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 55535803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).