1-(1-benzylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylphenyl)urea

C26H29N3O3S — CID 20782228

IUPAC1-(1-benzylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylphenyl)urea
SMILESCN(C(=O)Nc1ccc(-c2ccccc2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C26H29N3O3S/c1-28(26(30)27-24-14-12-23(13-15-24)22-10-6-3-7-11-22)25-16-18-29(19-17-25)33(31,32)20-21-8-4-2-5-9-21/h2-15,25H,16-20H2,1H3,(H,27,30)
InChIKeyYJWIKSVCAYWYCP-UHFFFAOYSA-N
MW463.60 g/mol
LogP4.81
Rot. Bonds6

About 1-(1-benzylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylphenyl)urea

1-(1-benzylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylphenyl)urea (PubChem CID 20782228) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is 1-(1-benzylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylphenyl)urea.

Molecular Properties

Compound Name1-(1-benzylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylphenyl)urea
PubChem CID20782228
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC Name1-(1-benzylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylphenyl)urea
SMILESCN(C(=O)Nc1ccc(-c2ccccc2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C26H29N3O3S/c1-28(26(30)27-24-14-12-23(13-15-24)22-10-6-3-7-11-22)25-16-18-29(19-17-25)33(31,32)20-21-8-4-2-5-9-21/h2-15,25H,16-20H2,1H3,(H,27,30)
InChIKeyYJWIKSVCAYWYCP-UHFFFAOYSA-N
XLogP4.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylphenyl)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

N-cyclopropyl-2-[4-[methyl-[(4-phenylphenyl)carbamoyl]amino]piperidin-1-yl]acetamide
CID 20782512
3-[4-(2-fluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 20782336
1-(4-hydroxyiminocyclohexyl)-1-methyl-3-(4-phenylphenyl)urea
CID 20782268
1-[1-[2-(cyclopropylamino)prop-2-enyl]piperidin-4-yl]-1-methyl-3-(4-phenylphenyl)urea;propane
CID 142124695
1-methyl-3-(4-phenylphenyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 20782294
1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide
CID 28633931
1-(1-benzylazetidin-3-yl)-3-[4-(3,5-difluorophenyl)phenyl]-1-methylurea
CID 20782225
1-benzylsulfonyl-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]piperidine-4-carboxamide
CID 55690493
1-methyl-3-(4-phenylphenyl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
CID 20782286
2-(1-benzylsulfonylpiperidin-4-yl)acetic acid
CID 78980334
2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-tert-butylphenyl)acetamide
CID 9443469
1-benzylsulfonyl-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 39716601

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylphenyl)urea?
The IUPAC name of 1-(1-benzylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylphenyl)urea (CID 20782228) is 1-(1-benzylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylphenyl)urea.
What is the SMILES notation for 1-(1-benzylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylphenyl)urea?
The canonical SMILES for 1-(1-benzylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylphenyl)urea is CN(C(=O)Nc1ccc(-c2ccccc2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylphenyl)urea?
The InChIKey is YJWIKSVCAYWYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-28(26(30)27-24-14-12-23(13-15-24)22-10-6-3-7-11-22)25-16-18-29(19-17-25)33(31,32)20-21-8-4-2-5-9-21/h2-15,25H,16-20H2,1H3,(H,27,30).
What are the key properties of 1-(1-benzylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylphenyl)urea?
1-(1-benzylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylphenyl)urea has a molecular weight of 463.60 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylphenyl)urea is sourced from PubChem (CID 20782228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).