N-[2-(cyclopropylsulfonylcarbamoyl)phenyl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C23H24F3N3O4S — CID 118722888

IUPACN-[2-(cyclopropylsulfonylcarbamoyl)phenyl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)c1ccccc1NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C23H24F3N3O4S/c24-23(25,26)19-7-3-1-5-17(19)15-11-13-29(14-12-15)22(31)27-20-8-4-2-6-18(20)21(30)28-34(32,33)16-9-10-16/h1-8,15-16H,9-14H2,(H,27,31)(H,28,30)
InChIKeyBYLUJZQLLGLWAF-UHFFFAOYSA-N
MW495.52 g/mol
LogP4.34
Rot. Bonds5

About N-[2-(cyclopropylsulfonylcarbamoyl)phenyl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

N-[2-(cyclopropylsulfonylcarbamoyl)phenyl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 118722888) has the molecular formula C23H24F3N3O4S and a molecular weight of 495.52 g/mol. Its IUPAC name is N-[2-(cyclopropylsulfonylcarbamoyl)phenyl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylsulfonylcarbamoyl)phenyl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID118722888
Molecular FormulaC23H24F3N3O4S
Molecular Weight495.52 g/mol
Exact Mass495.14
IUPAC NameN-[2-(cyclopropylsulfonylcarbamoyl)phenyl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)c1ccccc1NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C23H24F3N3O4S/c24-23(25,26)19-7-3-1-5-17(19)15-11-13-29(14-12-15)22(31)27-20-8-4-2-6-18(20)21(30)28-34(32,33)16-9-10-16/h1-8,15-16H,9-14H2,(H,27,31)(H,28,30)
InChIKeyBYLUJZQLLGLWAF-UHFFFAOYSA-N
XLogP4.34
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.52
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]amino]benzoic acid
CID 25138295
(3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 51895142
methyl 2-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]benzoate
CID 118674807
methyl 2-[[4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidine-1-carbonyl]amino]benzoate
CID 67434969
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972
4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 3857364
methyl 2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoate
CID 159388662
4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121165130
1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 137456369
4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90558855
3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 103896300
4-thiomorpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 72886540

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylsulfonylcarbamoyl)phenyl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-(cyclopropylsulfonylcarbamoyl)phenyl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 118722888) is N-[2-(cyclopropylsulfonylcarbamoyl)phenyl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylsulfonylcarbamoyl)phenyl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-(cyclopropylsulfonylcarbamoyl)phenyl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(NS(=O)(=O)C1CC1)c1ccccc1NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-[2-(cyclopropylsulfonylcarbamoyl)phenyl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is BYLUJZQLLGLWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O4S/c24-23(25,26)19-7-3-1-5-17(19)15-11-13-29(14-12-15)22(31)27-20-8-4-2-6-18(20)21(30)28-34(32,33)16-9-10-16/h1-8,15-16H,9-14H2,(H,27,31)(H,28,30).
What are the key properties of N-[2-(cyclopropylsulfonylcarbamoyl)phenyl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
N-[2-(cyclopropylsulfonylcarbamoyl)phenyl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 495.52 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylsulfonylcarbamoyl)phenyl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 118722888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).