N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-(2-cyclohexylethyl)-2,2-dimethylpropanamide

C30H39ClFNO4S — CID 73296023

IUPACN-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-(2-cyclohexylethyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N(CCC1CCCCC1)c1ccc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCOCC2)cc1F
InChIInChI=1S/C30H39ClFNO4S/c1-29(2,3)28(34)33(18-15-22-7-5-4-6-8-22)27-14-9-23(21-26(27)32)30(16-19-37-20-17-30)38(35,36)25-12-10-24(31)11-13-25/h9-14,21-22H,4-8,15-20H2,1-3H3
InChIKeyPRSOSSVERLTEAV-UHFFFAOYSA-N
MW564.16 g/mol
LogP7.31
Rot. Bonds7

About N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-(2-cyclohexylethyl)-2,2-dimethylpropanamide

N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-(2-cyclohexylethyl)-2,2-dimethylpropanamide (PubChem CID 73296023) has the molecular formula C30H39ClFNO4S and a molecular weight of 564.16 g/mol. Its IUPAC name is N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-(2-cyclohexylethyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-(2-cyclohexylethyl)-2,2-dimethylpropanamide
PubChem CID73296023
Molecular FormulaC30H39ClFNO4S
Molecular Weight564.16 g/mol
Exact Mass563.23
IUPAC NameN-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-(2-cyclohexylethyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N(CCC1CCCCC1)c1ccc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCOCC2)cc1F
InChIInChI=1S/C30H39ClFNO4S/c1-29(2,3)28(34)33(18-15-22-7-5-4-6-8-22)27-14-9-23(21-26(27)32)30(16-19-37-20-17-30)38(35,36)25-12-10-24(31)11-13-25/h9-14,21-22H,4-8,15-20H2,1-3H3
InChIKeyPRSOSSVERLTEAV-UHFFFAOYSA-N
XLogP7.31
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.16
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-(2-cyclohexylethyl)-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-(2-cyclohexylethyl)-2,2-dimethylpropanamide (CID 73296023) is N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-(2-cyclohexylethyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-(2-cyclohexylethyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-(2-cyclohexylethyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)N(CCC1CCCCC1)c1ccc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCOCC2)cc1F.
What is the InChIKey of N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-(2-cyclohexylethyl)-2,2-dimethylpropanamide?
The InChIKey is PRSOSSVERLTEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39ClFNO4S/c1-29(2,3)28(34)33(18-15-22-7-5-4-6-8-22)27-14-9-23(21-26(27)32)30(16-19-37-20-17-30)38(35,36)25-12-10-24(31)11-13-25/h9-14,21-22H,4-8,15-20H2,1-3H3.
What are the key properties of N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-(2-cyclohexylethyl)-2,2-dimethylpropanamide?
N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-(2-cyclohexylethyl)-2,2-dimethylpropanamide has a molecular weight of 564.16 g/mol, XLogP of 7.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-(2-cyclohexylethyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 73296023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).