2-(4-butoxycyclohexyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide

C25H35N3O6S — CID 19077684

About 2-(4-butoxycyclohexyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide

2-(4-butoxycyclohexyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide (PubChem CID 19077684) has the molecular formula C25H35N3O6S and a molecular weight of 505.64 g/mol. Its IUPAC name is 2-(4-butoxycyclohexyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide.

Molecular Properties

• Compound Name: 2-(4-butoxycyclohexyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide
• PubChem CID: 19077684
• Molecular Formula: C25H35N3O6S
• Molecular Weight: 505.64 g/mol
• Exact Mass: 505.22
• IUPAC Name: 2-(4-butoxycyclohexyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide
• SMILES: CCCCOC1CCC(C(C(=O)NO)N(Cc2ccncc2)S(=O)(=O)c2ccc(OC)cc2)CC1
• InChI: InChI=1S/C25H35N3O6S/c1-3-4-17-34-22-7-5-20(6-8-22)24(25(29)27-30)28(18-19-13-15-26-16-14-19)35(31,32)23-11-9-21(33-2)10-12-23/h9-16,20,22,24,30H,3-8,17-18H2,1-2H3,(H,27,29)
• InChIKey: DFIMOOPRXNFJMN-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 118.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.64
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxycyclohexyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide?

The IUPAC name of 2-(4-butoxycyclohexyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide (CID 19077684) is 2-(4-butoxycyclohexyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide.

What is the SMILES notation for 2-(4-butoxycyclohexyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide?

The canonical SMILES for 2-(4-butoxycyclohexyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide is CCCCOC1CCC(C(C(=O)NO)N(Cc2ccncc2)S(=O)(=O)c2ccc(OC)cc2)CC1.

What is the InChIKey of 2-(4-butoxycyclohexyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide?

The InChIKey is DFIMOOPRXNFJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O6S/c1-3-4-17-34-22-7-5-20(6-8-22)24(25(29)27-30)28(18-19-13-15-26-16-14-19)35(31,32)23-11-9-21(33-2)10-12-23/h9-16,20,22,24,30H,3-8,17-18H2,1-2H3,(H,27,29).

What are the key properties of 2-(4-butoxycyclohexyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide?

2-(4-butoxycyclohexyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide has a molecular weight of 505.64 g/mol, XLogP of 3.53, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-butoxycyclohexyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide is sourced from PubChem (CID 19077684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).