2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxy-2-(4-propoxycyclohexyl)acetamide;hydrochloride

C25H36ClN3O6S — CID 19077677

IUPAC2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxy-2-(4-propoxycyclohexyl)acetamide;hydrochloride
SMILESCCCOC1CCC(C(C(=O)NO)N(Cc2ccncc2)S(=O)(=O)c2ccc(OCC)cc2)CC1.Cl
InChIInChI=1S/C25H35N3O6S.ClH/c1-3-17-34-22-7-5-20(6-8-22)24(25(29)27-30)28(18-19-13-15-26-16-14-19)35(31,32)23-11-9-21(10-12-23)33-4-2;/h9-16,20,22,24,30H,3-8,17-18H2,1-2H3,(H,27,29);1H
InChIKeyRLOBXVDBAVIPLZ-UHFFFAOYSA-N
MW542.10 g/mol
LogP3.95
Rot. Bonds12

About 2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxy-2-(4-propoxycyclohexyl)acetamide;hydrochloride

2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxy-2-(4-propoxycyclohexyl)acetamide;hydrochloride (PubChem CID 19077677) has the molecular formula C25H36ClN3O6S and a molecular weight of 542.10 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxy-2-(4-propoxycyclohexyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxy-2-(4-propoxycyclohexyl)acetamide;hydrochloride
PubChem CID19077677
Molecular FormulaC25H36ClN3O6S
Molecular Weight542.10 g/mol
Exact Mass541.20
IUPAC Name2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxy-2-(4-propoxycyclohexyl)acetamide;hydrochloride
SMILESCCCOC1CCC(C(C(=O)NO)N(Cc2ccncc2)S(=O)(=O)c2ccc(OCC)cc2)CC1.Cl
InChIInChI=1S/C25H35N3O6S.ClH/c1-3-17-34-22-7-5-20(6-8-22)24(25(29)27-30)28(18-19-13-15-26-16-14-19)35(31,32)23-11-9-21(10-12-23)33-4-2;/h9-16,20,22,24,30H,3-8,17-18H2,1-2H3,(H,27,29);1H
InChIKeyRLOBXVDBAVIPLZ-UHFFFAOYSA-N
XLogP3.95
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.10
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-ethoxycyclohexyl)-2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxyacetamide
CID 18661071
2-(4-butoxycyclohexyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide
CID 19077684
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-[4-(2-methylpropoxy)cyclohexyl]acetamide;hydrochloride
CID 18661099
(2R)-N-hydroxy-2-(4-methoxycyclohexyl)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide
CID 18661090
(2R)-2-[(4-ethoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide;hydrochloride
CID 22856296
(2R)-2-cyclohexyl-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 22860040
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-(oxocan-4-yl)acetamide
CID 22907074
(2R)-2-cyclohexyl-N-hydroxy-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]acetamide
CID 20683090
2-naphthalen-1-ylethyl 4-[(1R)-1-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]piperidine-1-carboxylate
CID 18665834
2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 74080477
(2S)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pentanamide
CID 177375287
(2R)-2-[(7-ethoxynaphthalen-2-yl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide
CID 58256181

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxy-2-(4-propoxycyclohexyl)acetamide;hydrochloride?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxy-2-(4-propoxycyclohexyl)acetamide;hydrochloride (CID 19077677) is 2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxy-2-(4-propoxycyclohexyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxy-2-(4-propoxycyclohexyl)acetamide;hydrochloride?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxy-2-(4-propoxycyclohexyl)acetamide;hydrochloride is CCCOC1CCC(C(C(=O)NO)N(Cc2ccncc2)S(=O)(=O)c2ccc(OCC)cc2)CC1.Cl.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxy-2-(4-propoxycyclohexyl)acetamide;hydrochloride?
The InChIKey is RLOBXVDBAVIPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O6S.ClH/c1-3-17-34-22-7-5-20(6-8-22)24(25(29)27-30)28(18-19-13-15-26-16-14-19)35(31,32)23-11-9-21(10-12-23)33-4-2;/h9-16,20,22,24,30H,3-8,17-18H2,1-2H3,(H,27,29);1H.
What are the key properties of 2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxy-2-(4-propoxycyclohexyl)acetamide;hydrochloride?
2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxy-2-(4-propoxycyclohexyl)acetamide;hydrochloride has a molecular weight of 542.10 g/mol, XLogP of 3.95, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxy-2-(4-propoxycyclohexyl)acetamide;hydrochloride is sourced from PubChem (CID 19077677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).