1-(1-cyclopentylsulfonylpiperidin-4-yl)-1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea

C20H28N4O5S — CID 24812368

IUPAC1-(1-cyclopentylsulfonylpiperidin-4-yl)-1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
SMILESCN(C(=O)Nc1ccc2c(c1)oc(=O)n2C)C1CCN(S(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C20H28N4O5S/c1-22(15-9-11-24(12-10-15)30(27,28)16-5-3-4-6-16)19(25)21-14-7-8-17-18(13-14)29-20(26)23(17)2/h7-8,13,15-16H,3-6,9-12H2,1-2H3,(H,21,25)
InChIKeyYZYNOOFLWLIJQV-UHFFFAOYSA-N
MW436.53 g/mol
LogP2.33
Rot. Bonds4

About 1-(1-cyclopentylsulfonylpiperidin-4-yl)-1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea

1-(1-cyclopentylsulfonylpiperidin-4-yl)-1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea (PubChem CID 24812368) has the molecular formula C20H28N4O5S and a molecular weight of 436.53 g/mol. Its IUPAC name is 1-(1-cyclopentylsulfonylpiperidin-4-yl)-1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-(1-cyclopentylsulfonylpiperidin-4-yl)-1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
PubChem CID24812368
Molecular FormulaC20H28N4O5S
Molecular Weight436.53 g/mol
Exact Mass436.18
IUPAC Name1-(1-cyclopentylsulfonylpiperidin-4-yl)-1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
SMILESCN(C(=O)Nc1ccc2c(c1)oc(=O)n2C)C1CCN(S(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C20H28N4O5S/c1-22(15-9-11-24(12-10-15)30(27,28)16-5-3-4-6-16)19(25)21-14-7-8-17-18(13-14)29-20(26)23(17)2/h7-8,13,15-16H,3-6,9-12H2,1-2H3,(H,21,25)
InChIKeyYZYNOOFLWLIJQV-UHFFFAOYSA-N
XLogP2.33
TPSA104.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1-cyclopentylsulfonylpiperidin-4-yl)-1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)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-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea
CID 24812366
1-(1-butylsulfonylpiperidin-4-yl)-1-methyl-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea
CID 24812274
1-(1-butanoylpiperidin-4-yl)-1-methyl-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea
CID 24812176
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 166411006
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride
CID 119312603
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312607
3-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)cyclopentane-1-carboxamide
CID 119764734
4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid
CID 110779478
2-(1-hydroxycyclopentyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
CID 111430879
N-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 110350785
3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108894718
3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-1-methylurea
CID 51301770

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylsulfonylpiperidin-4-yl)-1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-(1-cyclopentylsulfonylpiperidin-4-yl)-1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea (CID 24812368) is 1-(1-cyclopentylsulfonylpiperidin-4-yl)-1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-(1-cyclopentylsulfonylpiperidin-4-yl)-1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-(1-cyclopentylsulfonylpiperidin-4-yl)-1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea is CN(C(=O)Nc1ccc2c(c1)oc(=O)n2C)C1CCN(S(=O)(=O)C2CCCC2)CC1.
What is the InChIKey of 1-(1-cyclopentylsulfonylpiperidin-4-yl)-1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea?
The InChIKey is YZYNOOFLWLIJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5S/c1-22(15-9-11-24(12-10-15)30(27,28)16-5-3-4-6-16)19(25)21-14-7-8-17-18(13-14)29-20(26)23(17)2/h7-8,13,15-16H,3-6,9-12H2,1-2H3,(H,21,25).
What are the key properties of 1-(1-cyclopentylsulfonylpiperidin-4-yl)-1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea?
1-(1-cyclopentylsulfonylpiperidin-4-yl)-1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea has a molecular weight of 436.53 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylsulfonylpiperidin-4-yl)-1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 24812368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).