1-[(2R)-3-[(4S)-4-amino-3,3-difluoropiperidin-1-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

C35H34ClF4N3O4S — CID 153445414

IUPAC1-[(2R)-3-[(4S)-4-amino-3,3-difluoropiperidin-1-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide
SMILESN[C@H]1CCN(C(=O)[C@@H](c2c(S(N)(=O)=O)ccc3cc(OC4CCCC4)ccc23)C(F)(F)c2ccc(-c3ccc(Cl)cc3)cc2)CC1(F)F
InChIInChI=1S/C35H34ClF4N3O4S/c36-25-12-7-22(8-13-25)21-5-10-24(11-6-21)35(39,40)32(33(44)43-18-17-30(41)34(37,38)20-43)31-28-15-14-27(47-26-3-1-2-4-26)19-23(28)9-16-29(31)48(42,45)46/h5-16,19,26,30,32H,1-4,17-18,20,41H2,(H2,42,45,46)/t30-,32+/m0/s1
InChIKeyRZVAZBFIXCFQKX-XDFJSJKPSA-N
MW704.19 g/mol
LogP7.20
Rot. Bonds8

About 1-[(2R)-3-[(4S)-4-amino-3,3-difluoropiperidin-1-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

1-[(2R)-3-[(4S)-4-amino-3,3-difluoropiperidin-1-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide (PubChem CID 153445414) has the molecular formula C35H34ClF4N3O4S and a molecular weight of 704.19 g/mol. Its IUPAC name is 1-[(2R)-3-[(4S)-4-amino-3,3-difluoropiperidin-1-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide.

Molecular Properties

Compound Name1-[(2R)-3-[(4S)-4-amino-3,3-difluoropiperidin-1-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide
PubChem CID153445414
Molecular FormulaC35H34ClF4N3O4S
Molecular Weight704.19 g/mol
Exact Mass703.19
IUPAC Name1-[(2R)-3-[(4S)-4-amino-3,3-difluoropiperidin-1-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide
SMILESN[C@H]1CCN(C(=O)[C@@H](c2c(S(N)(=O)=O)ccc3cc(OC4CCCC4)ccc23)C(F)(F)c2ccc(-c3ccc(Cl)cc3)cc2)CC1(F)F
InChIInChI=1S/C35H34ClF4N3O4S/c36-25-12-7-22(8-13-25)21-5-10-24(11-6-21)35(39,40)32(33(44)43-18-17-30(41)34(37,38)20-43)31-28-15-14-27(47-26-3-1-2-4-26)19-23(28)9-16-29(31)48(42,45)46/h5-16,19,26,30,32H,1-4,17-18,20,41H2,(H2,42,45,46)/t30-,32+/m0/s1
InChIKeyRZVAZBFIXCFQKX-XDFJSJKPSA-N
XLogP7.20
TPSA115.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.19
LogP ≤ 57.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-3-[(4S)-4-amino-3,3-difluoropiperidin-1-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-3-[(3S)-3-aminopyrrolidin-1-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide
CID 153445437
1-[(2S)-3-[(3R,4R)-4-amino-3-fluoropiperidin-1-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide
CID 153445404
[[(2R)-3-[(4S)-4-amino-3,3-difluoropiperidin-1-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-(6-cyclopentyloxynaphthalen-2-yl)sulfonylamino] 2,2,2-trifluoroacetate
CID 146196244
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-[(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
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
[[(2S)-3-[(3R)-3-aminopyrrolidin-1-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-(6-cyclopentyloxynaphthalen-2-yl)sulfonylamino] 2,2,2-trifluoroacetate
CID 146196456
3-[4-(4-chlorophenyl)phenyl]-2-[(6-cyclopentyloxynaphthalen-2-yl)sulfanylamino]-3,3-difluoro-1-piperazin-1-ylpropan-1-one
CID 142387623
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-[(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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-[(4S)-4-amino-3,3-difluoropiperidin-1-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide?
The IUPAC name of 1-[(2R)-3-[(4S)-4-amino-3,3-difluoropiperidin-1-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide (CID 153445414) is 1-[(2R)-3-[(4S)-4-amino-3,3-difluoropiperidin-1-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide.
What is the SMILES notation for 1-[(2R)-3-[(4S)-4-amino-3,3-difluoropiperidin-1-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide?
The canonical SMILES for 1-[(2R)-3-[(4S)-4-amino-3,3-difluoropiperidin-1-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide is N[C@H]1CCN(C(=O)[C@@H](c2c(S(N)(=O)=O)ccc3cc(OC4CCCC4)ccc23)C(F)(F)c2ccc(-c3ccc(Cl)cc3)cc2)CC1(F)F.
What is the InChIKey of 1-[(2R)-3-[(4S)-4-amino-3,3-difluoropiperidin-1-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide?
The InChIKey is RZVAZBFIXCFQKX-XDFJSJKPSA-N. The full InChI is InChI=1S/C35H34ClF4N3O4S/c36-25-12-7-22(8-13-25)21-5-10-24(11-6-21)35(39,40)32(33(44)43-18-17-30(41)34(37,38)20-43)31-28-15-14-27(47-26-3-1-2-4-26)19-23(28)9-16-29(31)48(42,45)46/h5-16,19,26,30,32H,1-4,17-18,20,41H2,(H2,42,45,46)/t30-,32+/m0/s1.
What are the key properties of 1-[(2R)-3-[(4S)-4-amino-3,3-difluoropiperidin-1-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide?
1-[(2R)-3-[(4S)-4-amino-3,3-difluoropiperidin-1-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide has a molecular weight of 704.19 g/mol, XLogP of 7.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-[(4S)-4-amino-3,3-difluoropiperidin-1-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide is sourced from PubChem (CID 153445414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).