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

C20H25N3O6S — CID 19036044

IUPACN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-(oxan-2-yl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccncc2)C(C(=O)NO)C2CCCCO2)cc1
InChIInChI=1S/C20H25N3O6S/c1-28-16-5-7-17(8-6-16)30(26,27)23(14-15-9-11-21-12-10-15)19(20(24)22-25)18-4-2-3-13-29-18/h5-12,18-19,25H,2-4,13-14H2,1H3,(H,22,24)
InChIKeyNDFQEOVWVJFQFU-UHFFFAOYSA-N
MW435.50 g/mol
LogP1.72
Rot. Bonds8

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

N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-(oxan-2-yl)acetamide (PubChem CID 19036044) has the molecular formula C20H25N3O6S and a molecular weight of 435.50 g/mol. Its IUPAC name is N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-(oxan-2-yl)acetamide
PubChem CID19036044
Molecular FormulaC20H25N3O6S
Molecular Weight435.50 g/mol
Exact Mass435.15
IUPAC NameN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-(oxan-2-yl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccncc2)C(C(=O)NO)C2CCCCO2)cc1
InChIInChI=1S/C20H25N3O6S/c1-28-16-5-7-17(8-6-16)30(26,27)23(14-15-9-11-21-12-10-15)19(20(24)22-25)18-4-2-3-13-29-18/h5-12,18-19,25H,2-4,13-14H2,1H3,(H,22,24)
InChIKeyNDFQEOVWVJFQFU-UHFFFAOYSA-N
XLogP1.72
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 51.72
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-methoxycyclohexyl)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetamide
CID 18661090
(2R)-2-cyclohexyl-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 22860040
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-[4-(2-methylpropoxy)cyclohexyl]acetamide;hydrochloride
CID 18661099
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-(oxocan-4-yl)acetamide
CID 22907074
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
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
CID 10594938
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]propanamide
CID 89137426
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide;hydrochloride
CID 22907040
(2S)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pentanamide
CID 177375287
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-phenylpropanamide
CID 170380842

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-(oxan-2-yl)acetamide?
The IUPAC name of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-(oxan-2-yl)acetamide (CID 19036044) is N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-(oxan-2-yl)acetamide is COc1ccc(S(=O)(=O)N(Cc2ccncc2)C(C(=O)NO)C2CCCCO2)cc1.
What is the InChIKey of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-(oxan-2-yl)acetamide?
The InChIKey is NDFQEOVWVJFQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6S/c1-28-16-5-7-17(8-6-16)30(26,27)23(14-15-9-11-21-12-10-15)19(20(24)22-25)18-4-2-3-13-29-18/h5-12,18-19,25H,2-4,13-14H2,1H3,(H,22,24).
What are the key properties of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-(oxan-2-yl)acetamide?
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-(oxan-2-yl)acetamide has a molecular weight of 435.50 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-(oxan-2-yl)acetamide is sourced from PubChem (CID 19036044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).