N-[2-chloro-5-[4-(4-chlorophenyl)sulfonyloxan-4-yl]phenyl]-N-cyclobutyl-2,2-dimethylpropanamide

C26H31Cl2NO4S — CID 123245275

IUPACN-[2-chloro-5-[4-(4-chlorophenyl)sulfonyloxan-4-yl]phenyl]-N-cyclobutyl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N(c1cc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCOCC2)ccc1Cl)C1CCC1
InChIInChI=1S/C26H31Cl2NO4S/c1-25(2,3)24(30)29(20-5-4-6-20)23-17-18(7-12-22(23)28)26(13-15-33-16-14-26)34(31,32)21-10-8-19(27)9-11-21/h7-12,17,20H,4-6,13-16H2,1-3H3
InChIKeyYZDLXHNACBQBSM-UHFFFAOYSA-N
MW524.51 g/mol
LogP6.40
Rot. Bonds5

About N-[2-chloro-5-[4-(4-chlorophenyl)sulfonyloxan-4-yl]phenyl]-N-cyclobutyl-2,2-dimethylpropanamide

N-[2-chloro-5-[4-(4-chlorophenyl)sulfonyloxan-4-yl]phenyl]-N-cyclobutyl-2,2-dimethylpropanamide (PubChem CID 123245275) has the molecular formula C26H31Cl2NO4S and a molecular weight of 524.51 g/mol. Its IUPAC name is N-[2-chloro-5-[4-(4-chlorophenyl)sulfonyloxan-4-yl]phenyl]-N-cyclobutyl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-chloro-5-[4-(4-chlorophenyl)sulfonyloxan-4-yl]phenyl]-N-cyclobutyl-2,2-dimethylpropanamide
PubChem CID123245275
Molecular FormulaC26H31Cl2NO4S
Molecular Weight524.51 g/mol
Exact Mass523.14
IUPAC NameN-[2-chloro-5-[4-(4-chlorophenyl)sulfonyloxan-4-yl]phenyl]-N-cyclobutyl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N(c1cc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCOCC2)ccc1Cl)C1CCC1
InChIInChI=1S/C26H31Cl2NO4S/c1-25(2,3)24(30)29(20-5-4-6-20)23-17-18(7-12-22(23)28)26(13-15-33-16-14-26)34(31,32)21-10-8-19(27)9-11-21/h7-12,17,20H,4-6,13-16H2,1-3H3
InChIKeyYZDLXHNACBQBSM-UHFFFAOYSA-N
XLogP6.40
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.51
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[4-(4-chlorophenyl)sulfonyloxan-4-yl]phenyl]-N-cyclobutyl-2,2-dimethylpropanamide?
The IUPAC name of N-[2-chloro-5-[4-(4-chlorophenyl)sulfonyloxan-4-yl]phenyl]-N-cyclobutyl-2,2-dimethylpropanamide (CID 123245275) is N-[2-chloro-5-[4-(4-chlorophenyl)sulfonyloxan-4-yl]phenyl]-N-cyclobutyl-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-chloro-5-[4-(4-chlorophenyl)sulfonyloxan-4-yl]phenyl]-N-cyclobutyl-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-chloro-5-[4-(4-chlorophenyl)sulfonyloxan-4-yl]phenyl]-N-cyclobutyl-2,2-dimethylpropanamide is CC(C)(C)C(=O)N(c1cc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCOCC2)ccc1Cl)C1CCC1.
What is the InChIKey of N-[2-chloro-5-[4-(4-chlorophenyl)sulfonyloxan-4-yl]phenyl]-N-cyclobutyl-2,2-dimethylpropanamide?
The InChIKey is YZDLXHNACBQBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31Cl2NO4S/c1-25(2,3)24(30)29(20-5-4-6-20)23-17-18(7-12-22(23)28)26(13-15-33-16-14-26)34(31,32)21-10-8-19(27)9-11-21/h7-12,17,20H,4-6,13-16H2,1-3H3.
What are the key properties of N-[2-chloro-5-[4-(4-chlorophenyl)sulfonyloxan-4-yl]phenyl]-N-cyclobutyl-2,2-dimethylpropanamide?
N-[2-chloro-5-[4-(4-chlorophenyl)sulfonyloxan-4-yl]phenyl]-N-cyclobutyl-2,2-dimethylpropanamide has a molecular weight of 524.51 g/mol, XLogP of 6.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[4-(4-chlorophenyl)sulfonyloxan-4-yl]phenyl]-N-cyclobutyl-2,2-dimethylpropanamide is sourced from PubChem (CID 123245275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).