4-[(thiophen-2-ylsulfonylamino)methyl]-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide

C19H21F3N2O3S2 — CID 22430557

IUPAC4-[(thiophen-2-ylsulfonylamino)methyl]-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CCC(CNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H21F3N2O3S2/c20-19(21,22)15-3-1-4-16(11-15)24-18(25)14-8-6-13(7-9-14)12-23-29(26,27)17-5-2-10-28-17/h1-5,10-11,13-14,23H,6-9,12H2,(H,24,25)
InChIKeyYZHJHGVANRGDDB-UHFFFAOYSA-N
MW446.52 g/mol
LogP4.49
Rot. Bonds6

About 4-[(thiophen-2-ylsulfonylamino)methyl]-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide

4-[(thiophen-2-ylsulfonylamino)methyl]-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 22430557) has the molecular formula C19H21F3N2O3S2 and a molecular weight of 446.52 g/mol. Its IUPAC name is 4-[(thiophen-2-ylsulfonylamino)methyl]-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(thiophen-2-ylsulfonylamino)methyl]-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
PubChem CID22430557
Molecular FormulaC19H21F3N2O3S2
Molecular Weight446.52 g/mol
Exact Mass446.09
IUPAC Name4-[(thiophen-2-ylsulfonylamino)methyl]-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CCC(CNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H21F3N2O3S2/c20-19(21,22)15-3-1-4-16(11-15)24-18(25)14-8-6-13(7-9-14)12-23-29(26,27)17-5-2-10-28-17/h1-5,10-11,13-14,23H,6-9,12H2,(H,24,25)
InChIKeyYZHJHGVANRGDDB-UHFFFAOYSA-N
XLogP4.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(thiophen-2-ylsulfonylamino)methyl]-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(thiophen-2-ylsulfonylamino)methyl]-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide (CID 22430557) is 4-[(thiophen-2-ylsulfonylamino)methyl]-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(thiophen-2-ylsulfonylamino)methyl]-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(thiophen-2-ylsulfonylamino)methyl]-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)C1CCC(CNS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 4-[(thiophen-2-ylsulfonylamino)methyl]-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is YZHJHGVANRGDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3S2/c20-19(21,22)15-3-1-4-16(11-15)24-18(25)14-8-6-13(7-9-14)12-23-29(26,27)17-5-2-10-28-17/h1-5,10-11,13-14,23H,6-9,12H2,(H,24,25).
What are the key properties of 4-[(thiophen-2-ylsulfonylamino)methyl]-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
4-[(thiophen-2-ylsulfonylamino)methyl]-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 446.52 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(thiophen-2-ylsulfonylamino)methyl]-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 22430557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).