1-[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]-3-phenylurea

C20H25N3O3S — CID 110638075

IUPAC1-[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]-3-phenylurea
SMILESCc1ccccc1CS(=O)(=O)N1CCC(NC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H25N3O3S/c1-16-7-5-6-8-17(16)15-27(25,26)23-13-11-19(12-14-23)22-20(24)21-18-9-3-2-4-10-18/h2-10,19H,11-15H2,1H3,(H2,21,22,24)
InChIKeyJAGYBKOGKCGFDD-UHFFFAOYSA-N
MW387.50 g/mol
LogP3.11
Rot. Bonds5

About 1-[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]-3-phenylurea

1-[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]-3-phenylurea (PubChem CID 110638075) has the molecular formula C20H25N3O3S and a molecular weight of 387.50 g/mol. Its IUPAC name is 1-[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]-3-phenylurea
PubChem CID110638075
Molecular FormulaC20H25N3O3S
Molecular Weight387.50 g/mol
Exact Mass387.16
IUPAC Name1-[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]-3-phenylurea
SMILESCc1ccccc1CS(=O)(=O)N1CCC(NC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H25N3O3S/c1-16-7-5-6-8-17(16)15-27(25,26)23-13-11-19(12-14-23)22-20(24)21-18-9-3-2-4-10-18/h2-10,19H,11-15H2,1H3,(H2,21,22,24)
InChIKeyJAGYBKOGKCGFDD-UHFFFAOYSA-N
XLogP3.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]-3-phenylurea 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

4-[(2-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide
CID 110637840
1-(1-benzylsulfonylpiperidin-4-yl)-3-propan-2-ylurea
CID 110823299
N-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide
CID 110823020
1-(3,5-dimethylphenyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 47032176
cyclopentyl-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110364805
1-[(2-methylphenyl)methylsulfonyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 92802456
N-(3,4-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642430
N-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92802448
methyl N-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbamate
CID 110823326
ethyl 3-[[1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate
CID 43910213
N-(2,3-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642431
(3S)-N-(4-methylphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641405

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]-3-phenylurea?
The IUPAC name of 1-[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]-3-phenylurea (CID 110638075) is 1-[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]-3-phenylurea.
What is the SMILES notation for 1-[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]-3-phenylurea?
The canonical SMILES for 1-[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]-3-phenylurea is Cc1ccccc1CS(=O)(=O)N1CCC(NC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]-3-phenylurea?
The InChIKey is JAGYBKOGKCGFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-16-7-5-6-8-17(16)15-27(25,26)23-13-11-19(12-14-23)22-20(24)21-18-9-3-2-4-10-18/h2-10,19H,11-15H2,1H3,(H2,21,22,24).
What are the key properties of 1-[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]-3-phenylurea?
1-[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]-3-phenylurea has a molecular weight of 387.50 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]-3-phenylurea is sourced from PubChem (CID 110638075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).