(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-[4-(2-methylpropoxy)cyclohexyl]acetamide;hydrochloride

C25H36ClN3O6S — CID 18661099

About (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-[4-(2-methylpropoxy)cyclohexyl]acetamide;hydrochloride

(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-[4-(2-methylpropoxy)cyclohexyl]acetamide;hydrochloride (PubChem CID 18661099) has the molecular formula C25H36ClN3O6S and a molecular weight of 542.10 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-[4-(2-methylpropoxy)cyclohexyl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-[4-(2-methylpropoxy)cyclohexyl]acetamide;hydrochloride
• PubChem CID: 18661099
• Molecular Formula: C25H36ClN3O6S
• Molecular Weight: 542.10 g/mol
• Exact Mass: 541.20
• IUPAC Name: (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-[4-(2-methylpropoxy)cyclohexyl]acetamide;hydrochloride
• SMILES: COc1ccc(S(=O)(=O)N(Cc2ccncc2)[C@@H](C(=O)NO)C2CCC(OCC(C)C)CC2)cc1.Cl
• InChI: InChI=1S/C25H35N3O6S.ClH/c1-18(2)17-34-22-6-4-20(5-7-22)24(25(29)27-30)28(16-19-12-14-26-15-13-19)35(31,32)23-10-8-21(33-3)9-11-23;/h8-15,18,20,22,24,30H,4-7,16-17H2,1-3H3,(H,27,29);1H/t20?,22?,24-;/m1./s1
• InChIKey: RVHMTWLCTXLQFK-UEUFRIPOSA-N
• XLogP: 3.81
• TPSA: 118.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.10
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'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 (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-[4-(2-methylpropoxy)cyclohexyl]acetamide;hydrochloride?

The IUPAC name of (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-[4-(2-methylpropoxy)cyclohexyl]acetamide;hydrochloride (CID 18661099) is (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-[4-(2-methylpropoxy)cyclohexyl]acetamide;hydrochloride.

What is the SMILES notation for (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-[4-(2-methylpropoxy)cyclohexyl]acetamide;hydrochloride?

The canonical SMILES for (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-[4-(2-methylpropoxy)cyclohexyl]acetamide;hydrochloride is COc1ccc(S(=O)(=O)N(Cc2ccncc2)[C@@H](C(=O)NO)C2CCC(OCC(C)C)CC2)cc1.Cl.

What is the InChIKey of (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-[4-(2-methylpropoxy)cyclohexyl]acetamide;hydrochloride?

The InChIKey is RVHMTWLCTXLQFK-UEUFRIPOSA-N. The full InChI is InChI=1S/C25H35N3O6S.ClH/c1-18(2)17-34-22-6-4-20(5-7-22)24(25(29)27-30)28(16-19-12-14-26-15-13-19)35(31,32)23-10-8-21(33-3)9-11-23;/h8-15,18,20,22,24,30H,4-7,16-17H2,1-3H3,(H,27,29);1H/t20?,22?,24-;/m1./s1.

What are the key properties of (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-[4-(2-methylpropoxy)cyclohexyl]acetamide;hydrochloride?

(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-[4-(2-methylpropoxy)cyclohexyl]acetamide;hydrochloride has a molecular weight of 542.10 g/mol, XLogP of 3.81, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-[4-(2-methylpropoxy)cyclohexyl]acetamide;hydrochloride is sourced from PubChem (CID 18661099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).