4-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

C27H37N3O4S — CID 24982010

IUPAC4-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC3(N4CCCCC4)CCCCC3)cc2)cc1
InChIInChI=1S/C27H37N3O4S/c1-2-34-24-13-15-25(16-14-24)35(32,33)29-23-11-9-22(10-12-23)26(31)28-21-27(17-5-3-6-18-27)30-19-7-4-8-20-30/h9-16,29H,2-8,17-21H2,1H3,(H,28,31)
InChIKeyUMBCYJBEMJQZHN-UHFFFAOYSA-N
MW499.68 g/mol
LogP4.80
Rot. Bonds9

About 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

4-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (PubChem CID 24982010) has the molecular formula C27H37N3O4S and a molecular weight of 499.68 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
PubChem CID24982010
Molecular FormulaC27H37N3O4S
Molecular Weight499.68 g/mol
Exact Mass499.25
IUPAC Name4-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC3(N4CCCCC4)CCCCC3)cc2)cc1
InChIInChI=1S/C27H37N3O4S/c1-2-34-24-13-15-25(16-14-24)35(32,33)29-23-11-9-22(10-12-23)26(31)28-21-27(17-5-3-6-18-27)30-19-7-4-8-20-30/h9-16,29H,2-8,17-21H2,1H3,(H,28,31)
InChIKeyUMBCYJBEMJQZHN-UHFFFAOYSA-N
XLogP4.80
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.68
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (CID 24982010) is 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC3(N4CCCCC4)CCCCC3)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The InChIKey is UMBCYJBEMJQZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O4S/c1-2-34-24-13-15-25(16-14-24)35(32,33)29-23-11-9-22(10-12-23)26(31)28-21-27(17-5-3-6-18-27)30-19-7-4-8-20-30/h9-16,29H,2-8,17-21H2,1H3,(H,28,31).
What are the key properties of 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
4-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide has a molecular weight of 499.68 g/mol, XLogP of 4.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 24982010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).