N-[(2R)-1-[4-(4-chlorophenyl)phenyl]-3-(4,7-diazaspiro[2.5]octan-7-yl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

C36H36ClF2N3O4S — CID 146196368

IUPACN-[(2R)-1-[4-(4-chlorophenyl)phenyl]-3-(4,7-diazaspiro[2.5]octan-7-yl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide
SMILESO=C([C@@H](NS(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1)C(F)(F)c1ccc(-c2ccc(Cl)cc2)cc1)N1CCNC2(CC2)C1
InChIInChI=1S/C36H36ClF2N3O4S/c37-29-13-7-25(8-14-29)24-5-11-28(12-6-24)36(38,39)33(34(43)42-20-19-40-35(23-42)17-18-35)41-47(44,45)32-16-10-26-21-31(15-9-27(26)22-32)46-30-3-1-2-4-30/h5-16,21-22,30,33,40-41H,1-4,17-20,23H2/t33-/m1/s1
InChIKeyCOXPMIINVRIICV-MGBGTMOVSA-N
MW680.22 g/mol
LogP6.88
Rot. Bonds9

About N-[(2R)-1-[4-(4-chlorophenyl)phenyl]-3-(4,7-diazaspiro[2.5]octan-7-yl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

N-[(2R)-1-[4-(4-chlorophenyl)phenyl]-3-(4,7-diazaspiro[2.5]octan-7-yl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide (PubChem CID 146196368) has the molecular formula C36H36ClF2N3O4S and a molecular weight of 680.22 g/mol. Its IUPAC name is N-[(2R)-1-[4-(4-chlorophenyl)phenyl]-3-(4,7-diazaspiro[2.5]octan-7-yl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-(4-chlorophenyl)phenyl]-3-(4,7-diazaspiro[2.5]octan-7-yl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide
PubChem CID146196368
Molecular FormulaC36H36ClF2N3O4S
Molecular Weight680.22 g/mol
Exact Mass679.21
IUPAC NameN-[(2R)-1-[4-(4-chlorophenyl)phenyl]-3-(4,7-diazaspiro[2.5]octan-7-yl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide
SMILESO=C([C@@H](NS(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1)C(F)(F)c1ccc(-c2ccc(Cl)cc2)cc1)N1CCNC2(CC2)C1
InChIInChI=1S/C36H36ClF2N3O4S/c37-29-13-7-25(8-14-29)24-5-11-28(12-6-24)36(38,39)33(34(43)42-20-19-40-35(23-42)17-18-35)41-47(44,45)32-16-10-26-21-31(15-9-27(26)22-32)46-30-3-1-2-4-30/h5-16,21-22,30,33,40-41H,1-4,17-20,23H2/t33-/m1/s1
InChIKeyCOXPMIINVRIICV-MGBGTMOVSA-N
XLogP6.88
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.22
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-1-[4-(4-chlorophenyl)phenyl]-3-(4,7-diazaspiro[2.5]octan-7-yl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide with MolForge

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Related Compounds

N-[(2R)-1-[4-(4-chlorophenyl)phenyl]-3-(4,7-diazaspiro[2.5]octan-7-yl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 146196367
N-[(2R)-3-[(3R)-3-aminopyrrolidin-1-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide
CID 146196149
N-[3-(4-aminopiperidin-1-yl)-1-(4-chlorophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide
CID 135155187
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 146196154
N-[(2S)-3-(8-amino-3-azabicyclo[3.2.1]octan-3-yl)-1-(4-chlorophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide
CID 146201615
N-[(2R)-3-(2-amino-5-azatricyclo[5.1.0.01,3]octan-5-yl)-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide
CID 135175505
N-[(2S)-3-[(2S)-2-amino-7-azabicyclo[2.2.1]heptan-7-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide
CID 142387311
N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(4-chlorophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide
CID 135175194
3-[4-(4-chlorophenyl)phenyl]-2-[(6-cyclopentyloxynaphthalen-2-yl)sulfanylamino]-3,3-difluoro-1-piperazin-1-ylpropan-1-one
CID 142387623
N-[(2R)-3-(4-aminopiperidin-1-yl)-1-(4-chloro-3-cyclopropyloxyphenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide
CID 146196614
tert-butyl N-[1-[3-[4-(4-chlorophenyl)-3-methoxyphenyl]-2-[(6-cyclopentyloxynaphthalen-2-yl)sulfonylamino]-3,3-difluoropropanoyl]piperidin-4-yl]carbamate
CID 146201585
N-[(2S)-3-(4-aminopiperidin-1-yl)-1,1-difluoro-3-oxo-1-(3-phenylphenyl)propan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide
CID 146196165

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-(4-chlorophenyl)phenyl]-3-(4,7-diazaspiro[2.5]octan-7-yl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide?
The IUPAC name of N-[(2R)-1-[4-(4-chlorophenyl)phenyl]-3-(4,7-diazaspiro[2.5]octan-7-yl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide (CID 146196368) is N-[(2R)-1-[4-(4-chlorophenyl)phenyl]-3-(4,7-diazaspiro[2.5]octan-7-yl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(2R)-1-[4-(4-chlorophenyl)phenyl]-3-(4,7-diazaspiro[2.5]octan-7-yl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide?
The canonical SMILES for N-[(2R)-1-[4-(4-chlorophenyl)phenyl]-3-(4,7-diazaspiro[2.5]octan-7-yl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide is O=C([C@@H](NS(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1)C(F)(F)c1ccc(-c2ccc(Cl)cc2)cc1)N1CCNC2(CC2)C1.
What is the InChIKey of N-[(2R)-1-[4-(4-chlorophenyl)phenyl]-3-(4,7-diazaspiro[2.5]octan-7-yl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide?
The InChIKey is COXPMIINVRIICV-MGBGTMOVSA-N. The full InChI is InChI=1S/C36H36ClF2N3O4S/c37-29-13-7-25(8-14-29)24-5-11-28(12-6-24)36(38,39)33(34(43)42-20-19-40-35(23-42)17-18-35)41-47(44,45)32-16-10-26-21-31(15-9-27(26)22-32)46-30-3-1-2-4-30/h5-16,21-22,30,33,40-41H,1-4,17-20,23H2/t33-/m1/s1.
What are the key properties of N-[(2R)-1-[4-(4-chlorophenyl)phenyl]-3-(4,7-diazaspiro[2.5]octan-7-yl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide?
N-[(2R)-1-[4-(4-chlorophenyl)phenyl]-3-(4,7-diazaspiro[2.5]octan-7-yl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide has a molecular weight of 680.22 g/mol, XLogP of 6.88, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-(4-chlorophenyl)phenyl]-3-(4,7-diazaspiro[2.5]octan-7-yl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide is sourced from PubChem (CID 146196368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).