1-(3,4-dimethylphenyl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C25H30F3N3O4S — CID 24687978

IUPAC1-(3,4-dimethylphenyl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)CC2)cc1C
InChIInChI=1S/C25H30F3N3O4S/c1-17-3-5-21(15-18(17)2)36(33,34)31-9-7-19(8-10-31)24(32)29-22-16-20(25(26,27)28)4-6-23(22)30-11-13-35-14-12-30/h3-6,15-16,19H,7-14H2,1-2H3,(H,29,32)
InChIKeyXVRDUONCWSUWLF-UHFFFAOYSA-N
MW525.59 g/mol
LogP4.20
Rot. Bonds5

About 1-(3,4-dimethylphenyl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-(3,4-dimethylphenyl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 24687978) has the molecular formula C25H30F3N3O4S and a molecular weight of 525.59 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID24687978
Molecular FormulaC25H30F3N3O4S
Molecular Weight525.59 g/mol
Exact Mass525.19
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)CC2)cc1C
InChIInChI=1S/C25H30F3N3O4S/c1-17-3-5-21(15-18(17)2)36(33,34)31-9-7-19(8-10-31)24(32)29-22-16-20(25(26,27)28)4-6-23(22)30-11-13-35-14-12-30/h3-6,15-16,19H,7-14H2,1-2H3,(H,29,32)
InChIKeyXVRDUONCWSUWLF-UHFFFAOYSA-N
XLogP4.20
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.59
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylbenzenesulfonyl)-N-[2-(piperidin-1-yl)phenyl]piperidine-4-carboxamide
CID 655943
4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2089202
N-(2-morpholin-4-ylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 2094510
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]naphthalene-2-sulfonamide
CID 2472272
1-(3,4-dimethylphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 2524092
4-methyl-N-[5-(morpholin-4-ylcarbonyl)-2-piperidin-1-ylphenyl]benzenesulfonamide
CID 3243019
N-(2-piperidin-1-ylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 16545818
1-(4-methylphenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 23797550
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 24687331
[2-[[2-(4-Fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 24979278
1-(3,4-dimethylphenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide
CID 24982277
2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3391553

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 24687978) is 1-(3,4-dimethylphenyl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is XVRDUONCWSUWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N3O4S/c1-17-3-5-21(15-18(17)2)36(33,34)31-9-7-19(8-10-31)24(32)29-22-16-20(25(26,27)28)4-6-23(22)30-11-13-35-14-12-30/h3-6,15-16,19H,7-14H2,1-2H3,(H,29,32).
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-(3,4-dimethylphenyl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 525.59 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 24687978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).