N-cyclopentyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid

C27H32F3N3O6S — CID 146062956

IUPACN-cyclopentyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C(=O)NC4CCCC4)CC3)cc2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H31N3O4S.C2HF3O2/c1-18-6-12-23(13-7-18)33(31,32)27-22-10-8-20(9-11-22)25(30)28-16-14-19(15-17-28)24(29)26-21-4-2-3-5-21;3-2(4,5)1(6)7/h6-13,19,21,27H,2-5,14-17H2,1H3,(H,26,29);(H,6,7)
InChIKeyGGRWDPZGFVCRDV-UHFFFAOYSA-N
MW583.63 g/mol
LogP4.34
Rot. Bonds6

About N-cyclopentyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid

N-cyclopentyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 146062956) has the molecular formula C27H32F3N3O6S and a molecular weight of 583.63 g/mol. Its IUPAC name is N-cyclopentyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclopentyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID146062956
Molecular FormulaC27H32F3N3O6S
Molecular Weight583.63 g/mol
Exact Mass583.20
IUPAC NameN-cyclopentyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C(=O)NC4CCCC4)CC3)cc2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H31N3O4S.C2HF3O2/c1-18-6-12-23(13-7-18)33(31,32)27-22-10-8-20(9-11-22)25(30)28-16-14-19(15-17-28)24(29)26-21-4-2-3-5-21;3-2(4,5)1(6)7/h6-13,19,21,27H,2-5,14-17H2,1H3,(H,26,29);(H,6,7)
InChIKeyGGRWDPZGFVCRDV-UHFFFAOYSA-N
XLogP4.34
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.63
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 46384573
N-cyclopropyl-1-[4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 55954695
N-cyclopropyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20974007
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
N-butyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 146071605
(3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729184
N-cyclopropyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]piperidine-4-carboxamide
CID 20973102
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327
N-(4-methylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide
CID 30832859
N-(4-methylphenyl)-4-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 41283116
N-cyclopentyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26017391
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 46454888

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclopentyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 146062956) is N-cyclopentyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclopentyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclopentyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C(=O)NC4CCCC4)CC3)cc2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclopentyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is GGRWDPZGFVCRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S.C2HF3O2/c1-18-6-12-23(13-7-18)33(31,32)27-22-10-8-20(9-11-22)25(30)28-16-14-19(15-17-28)24(29)26-21-4-2-3-5-21;3-2(4,5)1(6)7/h6-13,19,21,27H,2-5,14-17H2,1H3,(H,26,29);(H,6,7).
What are the key properties of N-cyclopentyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
N-cyclopentyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 583.63 g/mol, XLogP of 4.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146062956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).