4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C16H22F3N3O3S — CID 20628883

IUPAC4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H22F3N3O3S/c1-11(2)26(24,25)21-13-6-8-22(9-7-13)15(23)20-14-5-3-4-12(10-14)16(17,18)19/h3-5,10-11,13,21H,6-9H2,1-2H3,(H,20,23)
InChIKeyPDKTWQALHVKLJC-UHFFFAOYSA-N
MW393.43 g/mol
LogP3.03
Rot. Bonds4

About 4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 20628883) has the molecular formula C16H22F3N3O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is 4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID20628883
Molecular FormulaC16H22F3N3O3S
Molecular Weight393.43 g/mol
Exact Mass393.13
IUPAC Name4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H22F3N3O3S/c1-11(2)26(24,25)21-13-6-8-22(9-7-13)15(23)20-14-5-3-4-12(10-14)16(17,18)19/h3-5,10-11,13,21H,6-9H2,1-2H3,(H,20,23)
InChIKeyPDKTWQALHVKLJC-UHFFFAOYSA-N
XLogP3.03
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
N-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20629890
3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 72862706
N-[3-(cyclohexylcarbamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20629792
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440
3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 62536564
3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 71805623
N-(4-benzoylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630393
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394
4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 41430122
N-(1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630887
ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 3784054

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 20628883) is 4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is PDKTWQALHVKLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3S/c1-11(2)26(24,25)21-13-6-8-22(9-7-13)15(23)20-14-5-3-4-12(10-14)16(17,18)19/h3-5,10-11,13,21H,6-9H2,1-2H3,(H,20,23).
What are the key properties of 4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 20628883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).