1-(3-chlorophenyl)-3-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea

C23H30ClN3O3S — CID 41195346

IUPAC1-(3-chlorophenyl)-3-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)Nc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C23H30ClN3O3S/c1-16-13-17(2)22(18(3)14-16)31(29,30)27-12-5-4-9-21(27)10-11-25-23(28)26-20-8-6-7-19(24)15-20/h6-8,13-15,21H,4-5,9-12H2,1-3H3,(H2,25,26,28)/t21-/m1/s1
InChIKeyXHPLQXJFVVRBSW-OAQYLSRUSA-N
MW464.03 g/mol
LogP5.02
Rot. Bonds6

About 1-(3-chlorophenyl)-3-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea

1-(3-chlorophenyl)-3-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea (PubChem CID 41195346) has the molecular formula C23H30ClN3O3S and a molecular weight of 464.03 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea
PubChem CID41195346
Molecular FormulaC23H30ClN3O3S
Molecular Weight464.03 g/mol
Exact Mass463.17
IUPAC Name1-(3-chlorophenyl)-3-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)Nc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C23H30ClN3O3S/c1-16-13-17(2)22(18(3)14-16)31(29,30)27-12-5-4-9-21(27)10-11-25-23(28)26-20-8-6-7-19(24)15-20/h6-8,13-15,21H,4-5,9-12H2,1-3H3,(H2,25,26,28)/t21-/m1/s1
InChIKeyXHPLQXJFVVRBSW-OAQYLSRUSA-N
XLogP5.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.03
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)-3-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea with MolForge

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Related Compounds

1-phenyl-3-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea
CID 7280470
1-(3-chlorophenyl)-3-[2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]urea
CID 41194481
N'-(3-chlorophenyl)-N-[[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 41222523
N'-(2-chlorophenyl)-N-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195491
N'-(3,5-dimethylphenyl)-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 16829739
1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-3-(3-methylphenyl)urea
CID 18574346
1-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-(3-methylphenyl)urea
CID 41197033
1-(3-chlorophenyl)-3-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]urea
CID 7286181
N-ethyl-N'-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 16829747
1-(4-chlorophenyl)-3-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]urea
CID 41194713
1-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-phenylurea
CID 7280428
1-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-3-phenylurea
CID 7280148

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea (CID 41195346) is 1-(3-chlorophenyl)-3-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea is Cc1cc(C)c(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)Nc2cccc(Cl)c2)c(C)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea?
The InChIKey is XHPLQXJFVVRBSW-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H30ClN3O3S/c1-16-13-17(2)22(18(3)14-16)31(29,30)27-12-5-4-9-21(27)10-11-25-23(28)26-20-8-6-7-19(24)15-20/h6-8,13-15,21H,4-5,9-12H2,1-3H3,(H2,25,26,28)/t21-/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-3-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea?
1-(3-chlorophenyl)-3-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea has a molecular weight of 464.03 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea is sourced from PubChem (CID 41195346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).