N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

C16H21F3N2O4S — CID 60509557

IUPACN-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCOc1cc(NC(=O)C2CCCC(C(F)(F)F)C2)ccc1NS(C)(=O)=O
InChIInChI=1S/C16H21F3N2O4S/c1-25-14-9-12(6-7-13(14)21-26(2,23)24)20-15(22)10-4-3-5-11(8-10)16(17,18)19/h6-7,9-11,21H,3-5,8H2,1-2H3,(H,20,22)
InChIKeyMXLOEMIXHWNUOT-UHFFFAOYSA-N
MW394.42 g/mol
LogP3.37
Rot. Bonds5

About N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 60509557) has the molecular formula C16H21F3N2O4S and a molecular weight of 394.42 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID60509557
Molecular FormulaC16H21F3N2O4S
Molecular Weight394.42 g/mol
Exact Mass394.12
IUPAC NameN-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCOc1cc(NC(=O)C2CCCC(C(F)(F)F)C2)ccc1NS(C)(=O)=O
InChIInChI=1S/C16H21F3N2O4S/c1-25-14-9-12(6-7-13(14)21-26(2,23)24)20-15(22)10-4-3-5-11(8-10)16(17,18)19/h6-7,9-11,21H,3-5,8H2,1-2H3,(H,20,22)
InChIKeyMXLOEMIXHWNUOT-UHFFFAOYSA-N
XLogP3.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 55773022
2-bromo-2,2-difluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide
CID 51132083
4-butyl-N-[4-(methanesulfonamido)-3-methoxyphenyl]cyclohexane-1-carboxamide
CID 37257828
N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 47055132
N-(4-formylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106912255
N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115661550
N-[4-(methanesulfonamido)-3-methoxyphenyl]piperidine-2-carboxamide;hydrochloride
CID 119282638
N-[3-fluoro-4-(methanesulfonamido)phenyl]cyclohexanecarboxamide
CID 90165072
N-(2-amino-5-methoxyphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 119421237
3-methylsulfonyl-5-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]benzoic acid
CID 119257846
2-methyl-2-[4-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]phenyl]propanoic acid
CID 119254310
N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
CID 53491142

Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 60509557) is N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is COc1cc(NC(=O)C2CCCC(C(F)(F)F)C2)ccc1NS(C)(=O)=O.
What is the InChIKey of N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is MXLOEMIXHWNUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O4S/c1-25-14-9-12(6-7-13(14)21-26(2,23)24)20-15(22)10-4-3-5-11(8-10)16(17,18)19/h6-7,9-11,21H,3-5,8H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 394.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60509557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).