2-[2-chloro-N-methyl-4-(pentafluoro-λ6-sulfanyl)anilino]-N-cyclohexyl-2-pyridin-3-ylacetamide

C20H23ClF5N3OS — CID 156893829

IUPAC2-[2-chloro-N-methyl-4-(pentafluoro-λ6-sulfanyl)anilino]-N-cyclohexyl-2-pyridin-3-ylacetamide
SMILESCN(c1ccc(S(F)(F)(F)(F)F)cc1Cl)C(C(=O)NC1CCCCC1)c1cccnc1
InChIInChI=1S/C20H23ClF5N3OS/c1-29(18-10-9-16(12-17(18)21)31(22,23,24,25)26)19(14-6-5-11-27-13-14)20(30)28-15-7-3-2-4-8-15/h5-6,9-13,15,19H,2-4,7-8H2,1H3,(H,28,30)
InChIKeyRTEVQYUAFINRPM-UHFFFAOYSA-N
MW483.93 g/mol
LogP7.02
Rot. Bonds6

About 2-[2-chloro-N-methyl-4-(pentafluoro-λ6-sulfanyl)anilino]-N-cyclohexyl-2-pyridin-3-ylacetamide

2-[2-chloro-N-methyl-4-(pentafluoro-λ6-sulfanyl)anilino]-N-cyclohexyl-2-pyridin-3-ylacetamide (PubChem CID 156893829) has the molecular formula C20H23ClF5N3OS and a molecular weight of 483.93 g/mol. Its IUPAC name is 2-[2-chloro-N-methyl-4-(pentafluoro-λ6-sulfanyl)anilino]-N-cyclohexyl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[2-chloro-N-methyl-4-(pentafluoro-λ6-sulfanyl)anilino]-N-cyclohexyl-2-pyridin-3-ylacetamide
PubChem CID156893829
Molecular FormulaC20H23ClF5N3OS
Molecular Weight483.93 g/mol
Exact Mass483.12
IUPAC Name2-[2-chloro-N-methyl-4-(pentafluoro-λ6-sulfanyl)anilino]-N-cyclohexyl-2-pyridin-3-ylacetamide
SMILESCN(c1ccc(S(F)(F)(F)(F)F)cc1Cl)C(C(=O)NC1CCCCC1)c1cccnc1
InChIInChI=1S/C20H23ClF5N3OS/c1-29(18-10-9-16(12-17(18)21)31(22,23,24,25)26)19(14-6-5-11-27-13-14)20(30)28-15-7-3-2-4-8-15/h5-6,9-13,15,19H,2-4,7-8H2,1H3,(H,28,30)
InChIKeyRTEVQYUAFINRPM-UHFFFAOYSA-N
XLogP7.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.93
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethyloxan-4-yl)-2-[N-methyl-4-(pentafluoro-λ6-sulfanyl)anilino]-2-pyridin-3-ylacetamide
CID 156893809
(2S)-2-(3-chloro-N-(2-chloroacetyl)anilino)-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 92534555
3-(cyclohexylamino)-3-oxo-2-pyridin-3-ylpropanoic acid
CID 91593351
N-butyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]pentanamide
CID 163155340
2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 4642657
2-chloro-N-cyclopropyl-2-pyridin-3-ylacetamide
CID 62225149
2-[(2-chloroacetyl)-[2-(3-chlorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 162533663
4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]-N-cyclohexylpiperidine-1-carboxamide
CID 56682756
N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]but-2-ynamide
CID 166632953
2-[4-tert-butyl-N-(2-chloroacetyl)-2-(3-hydroxy-3-methylbut-1-ynyl)anilino]-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 168791153
N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide;N-(4-tert-butylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
CID 157344591
N-(6-tert-butyl-2-cyano-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
CID 166040824

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-N-methyl-4-(pentafluoro-λ6-sulfanyl)anilino]-N-cyclohexyl-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[2-chloro-N-methyl-4-(pentafluoro-λ6-sulfanyl)anilino]-N-cyclohexyl-2-pyridin-3-ylacetamide (CID 156893829) is 2-[2-chloro-N-methyl-4-(pentafluoro-λ6-sulfanyl)anilino]-N-cyclohexyl-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[2-chloro-N-methyl-4-(pentafluoro-λ6-sulfanyl)anilino]-N-cyclohexyl-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[2-chloro-N-methyl-4-(pentafluoro-λ6-sulfanyl)anilino]-N-cyclohexyl-2-pyridin-3-ylacetamide is CN(c1ccc(S(F)(F)(F)(F)F)cc1Cl)C(C(=O)NC1CCCCC1)c1cccnc1.
What is the InChIKey of 2-[2-chloro-N-methyl-4-(pentafluoro-λ6-sulfanyl)anilino]-N-cyclohexyl-2-pyridin-3-ylacetamide?
The InChIKey is RTEVQYUAFINRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClF5N3OS/c1-29(18-10-9-16(12-17(18)21)31(22,23,24,25)26)19(14-6-5-11-27-13-14)20(30)28-15-7-3-2-4-8-15/h5-6,9-13,15,19H,2-4,7-8H2,1H3,(H,28,30).
What are the key properties of 2-[2-chloro-N-methyl-4-(pentafluoro-λ6-sulfanyl)anilino]-N-cyclohexyl-2-pyridin-3-ylacetamide?
2-[2-chloro-N-methyl-4-(pentafluoro-λ6-sulfanyl)anilino]-N-cyclohexyl-2-pyridin-3-ylacetamide has a molecular weight of 483.93 g/mol, XLogP of 7.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-N-methyl-4-(pentafluoro-λ6-sulfanyl)anilino]-N-cyclohexyl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 156893829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).