N-[2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-N-phenyl-3,5-bis(trifluoromethyl)benzamide

C32H30F9N3O3S — CID 25235462

IUPACN-[2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-N-phenyl-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CCN1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccccc1
InChIInChI=1S/C32H30F9N3O3S/c33-30(34,35)22-5-4-8-28(20-22)48(46,47)44(26-9-10-26)27-11-13-42(14-12-27)15-16-43(25-6-2-1-3-7-25)29(45)21-17-23(31(36,37)38)19-24(18-21)32(39,40)41/h1-8,17-20,26-27H,9-16H2
InChIKeyYXGTVJWWSOVBGH-UHFFFAOYSA-N
MW707.66 g/mol
LogP7.71
Rot. Bonds9

About N-[2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-N-phenyl-3,5-bis(trifluoromethyl)benzamide

N-[2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-N-phenyl-3,5-bis(trifluoromethyl)benzamide (PubChem CID 25235462) has the molecular formula C32H30F9N3O3S and a molecular weight of 707.66 g/mol. Its IUPAC name is N-[2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-N-phenyl-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-N-phenyl-3,5-bis(trifluoromethyl)benzamide
PubChem CID25235462
Molecular FormulaC32H30F9N3O3S
Molecular Weight707.66 g/mol
Exact Mass707.19
IUPAC NameN-[2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-N-phenyl-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CCN1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccccc1
InChIInChI=1S/C32H30F9N3O3S/c33-30(34,35)22-5-4-8-28(20-22)48(46,47)44(26-9-10-26)27-11-13-42(14-12-27)15-16-43(25-6-2-1-3-7-25)29(45)21-17-23(31(36,37)38)19-24(18-21)32(39,40)41/h1-8,17-20,26-27H,9-16H2
InChIKeyYXGTVJWWSOVBGH-UHFFFAOYSA-N
XLogP7.71
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.66
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 24883189
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]acetamide
CID 24883153
ethyl 2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-2-methylpropanoate
CID 59614786
2-methoxyethyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 23642055
N-cyclopropyl-N-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 23642157
N-cyclopropyl-N-[1-(2-phenylethyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 4689561
methyl 2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]benzoate
CID 25235371
N-cyclopropyl-N-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 23641673
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 90607520
N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 4986715
ethyl 3-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propanoate
CID 59161865
4,4-bis(4-fluorophenyl)but-3-enoic acid;N-[1-[4,4-bis(4-fluorophenyl)but-3-enoyl]piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
CID 160753308

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-N-phenyl-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-N-phenyl-3,5-bis(trifluoromethyl)benzamide (CID 25235462) is N-[2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-N-phenyl-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-N-phenyl-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-N-phenyl-3,5-bis(trifluoromethyl)benzamide is O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CCN1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccccc1.
What is the InChIKey of N-[2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-N-phenyl-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is YXGTVJWWSOVBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F9N3O3S/c33-30(34,35)22-5-4-8-28(20-22)48(46,47)44(26-9-10-26)27-11-13-42(14-12-27)15-16-43(25-6-2-1-3-7-25)29(45)21-17-23(31(36,37)38)19-24(18-21)32(39,40)41/h1-8,17-20,26-27H,9-16H2.
What are the key properties of N-[2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-N-phenyl-3,5-bis(trifluoromethyl)benzamide?
N-[2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-N-phenyl-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 707.66 g/mol, XLogP of 7.71, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-N-phenyl-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 25235462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).