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

C22H29N3O6S — CID 18661090

IUPAC(2R)-N-hydroxy-2-(4-methoxycyclohexyl)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccncc2)[C@@H](C(=O)NO)C2CCC(OC)CC2)cc1
InChIInChI=1S/C22H29N3O6S/c1-30-18-5-3-17(4-6-18)21(22(26)24-27)25(15-16-11-13-23-14-12-16)32(28,29)20-9-7-19(31-2)8-10-20/h7-14,17-18,21,27H,3-6,15H2,1-2H3,(H,24,26)/t17?,18?,21-/m1/s1
InChIKeyCMLWFGIXGOKWSY-WIXQSORDSA-N
MW463.56 g/mol
LogP2.36
Rot. Bonds9

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

(2R)-N-hydroxy-2-(4-methoxycyclohexyl)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide (PubChem CID 18661090) has the molecular formula C22H29N3O6S and a molecular weight of 463.56 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-(4-methoxycyclohexyl)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-(4-methoxycyclohexyl)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide
PubChem CID18661090
Molecular FormulaC22H29N3O6S
Molecular Weight463.56 g/mol
Exact Mass463.18
IUPAC Name(2R)-N-hydroxy-2-(4-methoxycyclohexyl)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccncc2)[C@@H](C(=O)NO)C2CCC(OC)CC2)cc1
InChIInChI=1S/C22H29N3O6S/c1-30-18-5-3-17(4-6-18)21(22(26)24-27)25(15-16-11-13-23-14-12-16)32(28,29)20-9-7-19(31-2)8-10-20/h7-14,17-18,21,27H,3-6,15H2,1-2H3,(H,24,26)/t17?,18?,21-/m1/s1
InChIKeyCMLWFGIXGOKWSY-WIXQSORDSA-N
XLogP2.36
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 52.36
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)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-[4-(2-methylpropoxy)cyclohexyl]acetamide;hydrochloride
CID 18661099
2-(4-butoxycyclohexyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide
CID 19077684
(2R)-2-(4-ethoxycyclohexyl)-2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxyacetamide
CID 18661071
2-[(4-ethoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-hydroxy-2-(4-propoxycyclohexyl)acetamide;hydrochloride
CID 19077677
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-(oxan-2-yl)acetamide
CID 19036044
(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-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
CID 10594938
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]propanamide
CID 89137426
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
(2S)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pentanamide
CID 177375287
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide;hydrochloride
CID 22907040

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-2-(4-methoxycyclohexyl)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide?
The IUPAC name of (2R)-N-hydroxy-2-(4-methoxycyclohexyl)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide (CID 18661090) is (2R)-N-hydroxy-2-(4-methoxycyclohexyl)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide.
What is the SMILES notation for (2R)-N-hydroxy-2-(4-methoxycyclohexyl)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide?
The canonical SMILES for (2R)-N-hydroxy-2-(4-methoxycyclohexyl)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide is COc1ccc(S(=O)(=O)N(Cc2ccncc2)[C@@H](C(=O)NO)C2CCC(OC)CC2)cc1.
What is the InChIKey of (2R)-N-hydroxy-2-(4-methoxycyclohexyl)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide?
The InChIKey is CMLWFGIXGOKWSY-WIXQSORDSA-N. The full InChI is InChI=1S/C22H29N3O6S/c1-30-18-5-3-17(4-6-18)21(22(26)24-27)25(15-16-11-13-23-14-12-16)32(28,29)20-9-7-19(31-2)8-10-20/h7-14,17-18,21,27H,3-6,15H2,1-2H3,(H,24,26)/t17?,18?,21-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-(4-methoxycyclohexyl)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide?
(2R)-N-hydroxy-2-(4-methoxycyclohexyl)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide has a molecular weight of 463.56 g/mol, XLogP of 2.36, 9 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-methoxycyclohexyl)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide is sourced from PubChem (CID 18661090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).