(2R)-2-(4-ethoxycyclohexyl)-2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxyacetamide

C24H33N3O6S — CID 18661071

IUPAC(2R)-2-(4-ethoxycyclohexyl)-2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxyacetamide
SMILESCCOc1ccc(S(=O)(=O)N(Cc2ccncc2)[C@@H](C(=O)NO)C2CCC(OCC)CC2)cc1
InChIInChI=1S/C24H33N3O6S/c1-3-32-20-7-5-19(6-8-20)23(24(28)26-29)27(17-18-13-15-25-16-14-18)34(30,31)22-11-9-21(10-12-22)33-4-2/h9-16,19-20,23,29H,3-8,17H2,1-2H3,(H,26,28)/t19?,20?,23-/m1/s1
InChIKeyJBBNQXGEGUPQTI-YABDQXBESA-N
MW491.61 g/mol
LogP3.14
Rot. Bonds11

About (2R)-2-(4-ethoxycyclohexyl)-2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxyacetamide

(2R)-2-(4-ethoxycyclohexyl)-2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxyacetamide (PubChem CID 18661071) has the molecular formula C24H33N3O6S and a molecular weight of 491.61 g/mol. Its IUPAC name is (2R)-2-(4-ethoxycyclohexyl)-2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name(2R)-2-(4-ethoxycyclohexyl)-2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxyacetamide
PubChem CID18661071
Molecular FormulaC24H33N3O6S
Molecular Weight491.61 g/mol
Exact Mass491.21
IUPAC Name(2R)-2-(4-ethoxycyclohexyl)-2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxyacetamide
SMILESCCOc1ccc(S(=O)(=O)N(Cc2ccncc2)[C@@H](C(=O)NO)C2CCC(OCC)CC2)cc1
InChIInChI=1S/C24H33N3O6S/c1-3-32-20-7-5-19(6-8-20)23(24(28)26-29)27(17-18-13-15-25-16-14-18)34(30,31)22-11-9-21(10-12-22)33-4-2/h9-16,19-20,23,29H,3-8,17H2,1-2H3,(H,26,28)/t19?,20?,23-/m1/s1
InChIKeyJBBNQXGEGUPQTI-YABDQXBESA-N
XLogP3.14
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 53.14
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

2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxy-2-(4-propoxycyclohexyl)acetamide;hydrochloride
CID 19077677
2-(4-butoxycyclohexyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide
CID 19077684
(2R)-N-hydroxy-2-(4-methoxycyclohexyl)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide
CID 18661090
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-[4-(2-methylpropoxy)cyclohexyl]acetamide;hydrochloride
CID 18661099
(2R)-2-cyclohexyl-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 22860040
(2R)-2-[(4-ethoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide;hydrochloride
CID 22856296
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
(2R)-2-[(7-ethoxynaphthalen-2-yl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide
CID 58256181
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
CID 10594938
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 6493165

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethoxycyclohexyl)-2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxyacetamide?
The IUPAC name of (2R)-2-(4-ethoxycyclohexyl)-2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxyacetamide (CID 18661071) is (2R)-2-(4-ethoxycyclohexyl)-2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxyacetamide.
What is the SMILES notation for (2R)-2-(4-ethoxycyclohexyl)-2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxyacetamide?
The canonical SMILES for (2R)-2-(4-ethoxycyclohexyl)-2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxyacetamide is CCOc1ccc(S(=O)(=O)N(Cc2ccncc2)[C@@H](C(=O)NO)C2CCC(OCC)CC2)cc1.
What is the InChIKey of (2R)-2-(4-ethoxycyclohexyl)-2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxyacetamide?
The InChIKey is JBBNQXGEGUPQTI-YABDQXBESA-N. The full InChI is InChI=1S/C24H33N3O6S/c1-3-32-20-7-5-19(6-8-20)23(24(28)26-29)27(17-18-13-15-25-16-14-18)34(30,31)22-11-9-21(10-12-22)33-4-2/h9-16,19-20,23,29H,3-8,17H2,1-2H3,(H,26,28)/t19?,20?,23-/m1/s1.
What are the key properties of (2R)-2-(4-ethoxycyclohexyl)-2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxyacetamide?
(2R)-2-(4-ethoxycyclohexyl)-2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxyacetamide has a molecular weight of 491.61 g/mol, XLogP of 3.14, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethoxycyclohexyl)-2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxyacetamide is sourced from PubChem (CID 18661071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).