N'-(3,5-difluoro-4-methylsulfonylphenyl)-N-(2-propan-2-ylcyclohexyl)oxamide

C18H24F2N2O4S — CID 86888685

IUPACN'-(3,5-difluoro-4-methylsulfonylphenyl)-N-(2-propan-2-ylcyclohexyl)oxamide
SMILESCC(C)C1CCCCC1NC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C18H24F2N2O4S/c1-10(2)12-6-4-5-7-15(12)22-18(24)17(23)21-11-8-13(19)16(14(20)9-11)27(3,25)26/h8-10,12,15H,4-7H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyUNUAQAQXHRVFFW-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.64
Rot. Bonds4

About N'-(3,5-difluoro-4-methylsulfonylphenyl)-N-(2-propan-2-ylcyclohexyl)oxamide

N'-(3,5-difluoro-4-methylsulfonylphenyl)-N-(2-propan-2-ylcyclohexyl)oxamide (PubChem CID 86888685) has the molecular formula C18H24F2N2O4S and a molecular weight of 402.46 g/mol. Its IUPAC name is N'-(3,5-difluoro-4-methylsulfonylphenyl)-N-(2-propan-2-ylcyclohexyl)oxamide.

Molecular Properties

Compound NameN'-(3,5-difluoro-4-methylsulfonylphenyl)-N-(2-propan-2-ylcyclohexyl)oxamide
PubChem CID86888685
Molecular FormulaC18H24F2N2O4S
Molecular Weight402.46 g/mol
Exact Mass402.14
IUPAC NameN'-(3,5-difluoro-4-methylsulfonylphenyl)-N-(2-propan-2-ylcyclohexyl)oxamide
SMILESCC(C)C1CCCCC1NC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C18H24F2N2O4S/c1-10(2)12-6-4-5-7-15(12)22-18(24)17(23)21-11-8-13(19)16(14(20)9-11)27(3,25)26/h8-10,12,15H,4-7H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyUNUAQAQXHRVFFW-UHFFFAOYSA-N
XLogP2.64
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2-ethoxy-4-fluorophenyl)-N-(2-propan-2-ylcyclohexyl)oxamide
CID 86888697
N'-(3,5-difluorophenyl)-N-(2-hydroxycyclohexyl)oxamide
CID 111798158
N'-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(2-propan-2-ylcyclohexyl)oxamide
CID 86888698
2-fluoro-4-hydroxy-N-(2-propan-2-ylcyclohexyl)benzamide
CID 107676775
2-fluoro-N-(2-propan-2-ylcyclohexyl)-5-sulfanylbenzamide
CID 107033555
N-cycloheptyl-N'-(3-fluoro-4-methylphenyl)oxamide
CID 7585166
1,1,1-trifluoro-N-[(1R,2S)-2-propan-2-ylcyclohexyl]methanesulfonamide
CID 176856861
2,2,3,3-tetrafluoro-N-(2-propan-2-ylcyclohexyl)propanamide
CID 103733541
N-(methylsulfonimidoyl)-2-propan-2-ylcyclohexan-1-amine
CID 164644373
N-[(1S,2S)-2-hydroxycyclohexyl]-N'-(4-methylphenyl)oxamide
CID 104953006
2,6-dihydroxy-N-(2-propan-2-ylcyclohexyl)benzamide
CID 107689521
1-(2-hydroxycyclohexyl)-3-(3,4,5-trifluorophenyl)urea
CID 111459001

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-difluoro-4-methylsulfonylphenyl)-N-(2-propan-2-ylcyclohexyl)oxamide?
The IUPAC name of N'-(3,5-difluoro-4-methylsulfonylphenyl)-N-(2-propan-2-ylcyclohexyl)oxamide (CID 86888685) is N'-(3,5-difluoro-4-methylsulfonylphenyl)-N-(2-propan-2-ylcyclohexyl)oxamide.
What is the SMILES notation for N'-(3,5-difluoro-4-methylsulfonylphenyl)-N-(2-propan-2-ylcyclohexyl)oxamide?
The canonical SMILES for N'-(3,5-difluoro-4-methylsulfonylphenyl)-N-(2-propan-2-ylcyclohexyl)oxamide is CC(C)C1CCCCC1NC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1.
What is the InChIKey of N'-(3,5-difluoro-4-methylsulfonylphenyl)-N-(2-propan-2-ylcyclohexyl)oxamide?
The InChIKey is UNUAQAQXHRVFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O4S/c1-10(2)12-6-4-5-7-15(12)22-18(24)17(23)21-11-8-13(19)16(14(20)9-11)27(3,25)26/h8-10,12,15H,4-7H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-(3,5-difluoro-4-methylsulfonylphenyl)-N-(2-propan-2-ylcyclohexyl)oxamide?
N'-(3,5-difluoro-4-methylsulfonylphenyl)-N-(2-propan-2-ylcyclohexyl)oxamide has a molecular weight of 402.46 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-difluoro-4-methylsulfonylphenyl)-N-(2-propan-2-ylcyclohexyl)oxamide is sourced from PubChem (CID 86888685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).