1-methylsulfonyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]cyclopentane-1-carboxamide

C20H26F3NO3S — CID 86876143

IUPAC1-methylsulfonyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]cyclopentane-1-carboxamide
SMILESCS(=O)(=O)C1(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)CCCC1
InChIInChI=1S/C20H26F3NO3S/c1-28(26,27)19(11-4-5-12-19)17(25)24-14-18(9-2-3-10-18)15-7-6-8-16(13-15)20(21,22)23/h6-8,13H,2-5,9-12,14H2,1H3,(H,24,25)
InChIKeyAUWGVTFFVRWFLV-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.99
Rot. Bonds5

About 1-methylsulfonyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]cyclopentane-1-carboxamide

1-methylsulfonyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]cyclopentane-1-carboxamide (PubChem CID 86876143) has the molecular formula C20H26F3NO3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]cyclopentane-1-carboxamide
PubChem CID86876143
Molecular FormulaC20H26F3NO3S
Molecular Weight417.49 g/mol
Exact Mass417.16
IUPAC Name1-methylsulfonyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]cyclopentane-1-carboxamide
SMILESCS(=O)(=O)C1(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)CCCC1
InChIInChI=1S/C20H26F3NO3S/c1-28(26,27)19(11-4-5-12-19)17(25)24-14-18(9-2-3-10-18)15-7-6-8-16(13-15)20(21,22)23/h6-8,13H,2-5,9-12,14H2,1H3,(H,24,25)
InChIKeyAUWGVTFFVRWFLV-UHFFFAOYSA-N
XLogP3.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 119805107
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119805118
1-N'-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]cyclopropane-1,1-dicarboxamide
CID 75373653
(2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide
CID 119335838
2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]acetamide;hydrochloride
CID 119335841
2-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]acetamide
CID 119805131
4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide
CID 120561385
N-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide
CID 71998503
2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide
CID 119805139
2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide;hydrochloride
CID 119805138
1-[(1-methylpyrazol-4-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]urea
CID 47955967
N-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 146154637

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]cyclopentane-1-carboxamide (CID 86876143) is 1-methylsulfonyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]cyclopentane-1-carboxamide is CS(=O)(=O)C1(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)CCCC1.
What is the InChIKey of 1-methylsulfonyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is AUWGVTFFVRWFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3NO3S/c1-28(26,27)19(11-4-5-12-19)17(25)24-14-18(9-2-3-10-18)15-7-6-8-16(13-15)20(21,22)23/h6-8,13H,2-5,9-12,14H2,1H3,(H,24,25).
What are the key properties of 1-methylsulfonyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]cyclopentane-1-carboxamide?
1-methylsulfonyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 86876143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).