1-(4-chlorophenyl)-3-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]urea

C21H26ClN3O3S — CID 41194713

IUPAC1-(4-chlorophenyl)-3-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]urea
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H26ClN3O3S/c1-16-5-11-20(12-6-16)29(27,28)25-15-3-2-4-19(25)13-14-23-21(26)24-18-9-7-17(22)8-10-18/h5-12,19H,2-4,13-15H2,1H3,(H2,23,24,26)/t19-/m1/s1
InChIKeyIYYMZFWIOYIHEA-LJQANCHMSA-N
MW435.98 g/mol
LogP4.40
Rot. Bonds6

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

1-(4-chlorophenyl)-3-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]urea (PubChem CID 41194713) has the molecular formula C21H26ClN3O3S and a molecular weight of 435.98 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]urea
PubChem CID41194713
Molecular FormulaC21H26ClN3O3S
Molecular Weight435.98 g/mol
Exact Mass435.14
IUPAC Name1-(4-chlorophenyl)-3-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]urea
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H26ClN3O3S/c1-16-5-11-20(12-6-16)29(27,28)25-15-3-2-4-19(25)13-14-23-21(26)24-18-9-7-17(22)8-10-18/h5-12,19H,2-4,13-15H2,1H3,(H2,23,24,26)/t19-/m1/s1
InChIKeyIYYMZFWIOYIHEA-LJQANCHMSA-N
XLogP4.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.98
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-phenylurea
CID 7280428
N'-(4-chlorophenyl)-N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195983
N'-[(4-chlorophenyl)methyl]-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 18574366
1-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-3-phenylurea
CID 7280148
1-(4-methylphenyl)-3-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]urea
CID 7286214
N'-(4-fluorophenyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 18574389
4-[(4-bromobenzoyl)amino]-N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]benzamide
CID 166347794
1-(3-chlorophenyl)-3-[2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]urea
CID 41194481
N-methyl-N'-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 7280451
1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-3-(3-methylphenyl)urea
CID 18574346
N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2,6-dimethylphenyl)oxamide
CID 41196224
N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-cyclopentyloxamide
CID 41195965

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]urea (CID 41194713) is 1-(4-chlorophenyl)-3-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]urea is Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]urea?
The InChIKey is IYYMZFWIOYIHEA-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26ClN3O3S/c1-16-5-11-20(12-6-16)29(27,28)25-15-3-2-4-19(25)13-14-23-21(26)24-18-9-7-17(22)8-10-18/h5-12,19H,2-4,13-15H2,1H3,(H2,23,24,26)/t19-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]urea?
1-(4-chlorophenyl)-3-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]urea has a molecular weight of 435.98 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]urea is sourced from PubChem (CID 41194713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).