1-(3,3-diphenylpropyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea

C35H36F3N3O3S — CID 58182491

IUPAC1-(3,3-diphenylpropyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1ccc(S(=O)(=O)N2CCC(N(CCC(c3ccccc3)c3ccccc3)C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C35H36F3N3O3S/c1-26-15-17-32(18-16-26)45(43,44)40-22-19-31(20-23-40)41(34(42)39-30-14-8-13-29(25-30)35(36,37)38)24-21-33(27-9-4-2-5-10-27)28-11-6-3-7-12-28/h2-18,25,31,33H,19-24H2,1H3,(H,39,42)
InChIKeyNVUJWFXWGJWFEW-UHFFFAOYSA-N
MW635.75 g/mol
LogP7.92
Rot. Bonds9

About 1-(3,3-diphenylpropyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea

1-(3,3-diphenylpropyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 58182491) has the molecular formula C35H36F3N3O3S and a molecular weight of 635.75 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID58182491
Molecular FormulaC35H36F3N3O3S
Molecular Weight635.75 g/mol
Exact Mass635.24
IUPAC Name1-(3,3-diphenylpropyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1ccc(S(=O)(=O)N2CCC(N(CCC(c3ccccc3)c3ccccc3)C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C35H36F3N3O3S/c1-26-15-17-32(18-16-26)45(43,44)40-22-19-31(20-23-40)41(34(42)39-30-14-8-13-29(25-30)35(36,37)38)24-21-33(27-9-4-2-5-10-27)28-11-6-3-7-12-28/h2-18,25,31,33H,19-24H2,1H3,(H,39,42)
InChIKeyNVUJWFXWGJWFEW-UHFFFAOYSA-N
XLogP7.92
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.75
LogP ≤ 57.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,3-diphenylpropyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

4-[3,3-diphenylpropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]piperidine-1-carboxylic acid
CID 69321680
1-benzyl-1-[1-(3-methylbutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 126696222
N-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 18281480
1-(4-methylphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 26241503
1-propyl-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 126696237
N-(3,3-diphenylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 26796402
1-[3-(trifluoromethyl)phenyl]-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]urea
CID 141202562
1-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-[3-(trifluoromethyl)phenyl]urea
CID 17378154
N-(2-anilino-2-oxoethyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 46634672
2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3686927
N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 43872799
1-(2-hydroxyethyl)-1-(thian-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 122150164

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea (CID 58182491) is 1-(3,3-diphenylpropyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea is Cc1ccc(S(=O)(=O)N2CCC(N(CCC(c3ccccc3)c3ccccc3)C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is NVUJWFXWGJWFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36F3N3O3S/c1-26-15-17-32(18-16-26)45(43,44)40-22-19-31(20-23-40)41(34(42)39-30-14-8-13-29(25-30)35(36,37)38)24-21-33(27-9-4-2-5-10-27)28-11-6-3-7-12-28/h2-18,25,31,33H,19-24H2,1H3,(H,39,42).
What are the key properties of 1-(3,3-diphenylpropyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea?
1-(3,3-diphenylpropyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 635.75 g/mol, XLogP of 7.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 58182491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).