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

C23H31N3O3S — CID 7280470

IUPAC1-phenyl-3-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)Nc2ccccc2)c(C)c1
InChIInChI=1S/C23H31N3O3S/c1-17-15-18(2)22(19(3)16-17)30(28,29)26-14-8-7-11-21(26)12-13-24-23(27)25-20-9-5-4-6-10-20/h4-6,9-10,15-16,21H,7-8,11-14H2,1-3H3,(H2,24,25,27)/t21-/m0/s1
InChIKeyVGKWIBYTZVUFED-NRFANRHFSA-N
MW429.59 g/mol
LogP4.37
Rot. Bonds6

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

1-phenyl-3-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea (PubChem CID 7280470) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 1-phenyl-3-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea
PubChem CID7280470
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name1-phenyl-3-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)Nc2ccccc2)c(C)c1
InChIInChI=1S/C23H31N3O3S/c1-17-15-18(2)22(19(3)16-17)30(28,29)26-14-8-7-11-21(26)12-13-24-23(27)25-20-9-5-4-6-10-20/h4-6,9-10,15-16,21H,7-8,11-14H2,1-3H3,(H2,24,25,27)/t21-/m0/s1
InChIKeyVGKWIBYTZVUFED-NRFANRHFSA-N
XLogP4.37
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea
CID 41195346
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
N'-(3,5-dimethylphenyl)-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 16829739
N'-(2-chlorophenyl)-N-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195491
N-ethyl-N'-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 16829747
N'-cyclopentyl-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 16829734
N-butyl-N'-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195310
N'-[(4-methylphenyl)methyl]-N-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195264
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
N'-(2,4-difluorophenyl)-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 18574423

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea?
The IUPAC name of 1-phenyl-3-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea (CID 7280470) is 1-phenyl-3-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea.
What is the SMILES notation for 1-phenyl-3-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea?
The canonical SMILES for 1-phenyl-3-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea is Cc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)Nc2ccccc2)c(C)c1.
What is the InChIKey of 1-phenyl-3-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea?
The InChIKey is VGKWIBYTZVUFED-NRFANRHFSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-17-15-18(2)22(19(3)16-17)30(28,29)26-14-8-7-11-21(26)12-13-24-23(27)25-20-9-5-4-6-10-20/h4-6,9-10,15-16,21H,7-8,11-14H2,1-3H3,(H2,24,25,27)/t21-/m0/s1.
What are the key properties of 1-phenyl-3-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea?
1-phenyl-3-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea has a molecular weight of 429.59 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea is sourced from PubChem (CID 7280470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).