N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]acetamide

C24H24ClF6N3O3S — CID 24883153

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(N(C2CC2)S(=O)(=O)c2cccc(Cl)c2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H24ClF6N3O3S/c25-17-2-1-3-21(13-17)38(36,37)34(19-4-5-19)20-6-8-33(9-7-20)14-22(35)32-18-11-15(23(26,27)28)10-16(12-18)24(29,30)31/h1-3,10-13,19-20H,4-9,14H2,(H,32,35)
InChIKeyYUNJHKHUHBSLLA-UHFFFAOYSA-N
MW583.98 g/mol
LogP5.63
Rot. Bonds7

About N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]acetamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]acetamide (PubChem CID 24883153) has the molecular formula C24H24ClF6N3O3S and a molecular weight of 583.98 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]acetamide
PubChem CID24883153
Molecular FormulaC24H24ClF6N3O3S
Molecular Weight583.98 g/mol
Exact Mass583.11
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(N(C2CC2)S(=O)(=O)c2cccc(Cl)c2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H24ClF6N3O3S/c25-17-2-1-3-21(13-17)38(36,37)34(19-4-5-19)20-6-8-33(9-7-20)14-22(35)32-18-11-15(23(26,27)28)10-16(12-18)24(29,30)31/h1-3,10-13,19-20H,4-9,14H2,(H,32,35)
InChIKeyYUNJHKHUHBSLLA-UHFFFAOYSA-N
XLogP5.63
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.98
LogP ≤ 55.63
H-Bond Donors ≤ 51
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
1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907297
2-(4-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 31480654
N-[2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-N-phenyl-3,5-bis(trifluoromethyl)benzamide
CID 25235462
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 60500965
2-(4-benzyl-1,4-diazepan-1-yl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 16608496
2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 166601910
2-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 163344929
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
CID 112801308
4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 78870930
N-(3-chlorophenyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide
CID 119926822
2-methoxyethyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 23642055

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]acetamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]acetamide (CID 24883153) is N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]acetamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]acetamide is O=C(CN1CCC(N(C2CC2)S(=O)(=O)c2cccc(Cl)c2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]acetamide?
The InChIKey is YUNJHKHUHBSLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF6N3O3S/c25-17-2-1-3-21(13-17)38(36,37)34(19-4-5-19)20-6-8-33(9-7-20)14-22(35)32-18-11-15(23(26,27)28)10-16(12-18)24(29,30)31/h1-3,10-13,19-20H,4-9,14H2,(H,32,35).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]acetamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]acetamide has a molecular weight of 583.98 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 24883153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).