1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea

C17H27N3O4S — CID 4803267

IUPAC1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea
SMILESCOc1ccc(NC(=O)NC(C)(C)C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C17H27N3O4S/c1-17(2,3)19-16(21)18-13-8-9-14(24-4)15(12-13)25(22,23)20-10-6-5-7-11-20/h8-9,12H,5-7,10-11H2,1-4H3,(H2,18,19,21)
InChIKeyWEEYZYSNTYUPRG-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.79
Rot. Bonds4

About 1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea

1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea (PubChem CID 4803267) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea
PubChem CID4803267
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea
SMILESCOc1ccc(NC(=O)NC(C)(C)C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C17H27N3O4S/c1-17(2,3)19-16(21)18-13-8-9-14(24-4)15(12-13)25(22,23)20-10-6-5-7-11-20/h8-9,12H,5-7,10-11H2,1-4H3,(H2,18,19,21)
InChIKeyWEEYZYSNTYUPRG-UHFFFAOYSA-N
XLogP2.79
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
(E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)but-2-enamide
CID 6212937
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
3,5-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 4874945
4-methoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742149
2-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylpentanamide
CID 119677476
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902019
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
2,6-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742152
4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 120558840
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-oxidopyridin-1-ium-4-carboxamide
CID 8890703

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea?
The IUPAC name of 1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea (CID 4803267) is 1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea?
The canonical SMILES for 1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea is COc1ccc(NC(=O)NC(C)(C)C)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea?
The InChIKey is WEEYZYSNTYUPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-17(2,3)19-16(21)18-13-8-9-14(24-4)15(12-13)25(22,23)20-10-6-5-7-11-20/h8-9,12H,5-7,10-11H2,1-4H3,(H2,18,19,21).
What are the key properties of 1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea?
1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea has a molecular weight of 369.49 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea is sourced from PubChem (CID 4803267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).