(2R)-2-[(7-ethoxynaphthalen-2-yl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide

C23H27N3O5S — CID 58256181

IUPAC(2R)-2-[(7-ethoxynaphthalen-2-yl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide
SMILESCCOc1ccc2ccc(S(=O)(=O)N(Cc3cccnc3)[C@@H](C(=O)NO)C(C)C)cc2c1
InChIInChI=1S/C23H27N3O5S/c1-4-31-20-9-7-18-8-10-21(13-19(18)12-20)32(29,30)26(15-17-6-5-11-24-14-17)22(16(2)3)23(27)25-28/h5-14,16,22,28H,4,15H2,1-3H3,(H,25,27)/t22-/m1/s1
InChIKeyQJAZJVWOWPUYNR-JOCHJYFZSA-N
MW457.55 g/mol
LogP3.35
Rot. Bonds9

About (2R)-2-[(7-ethoxynaphthalen-2-yl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide

(2R)-2-[(7-ethoxynaphthalen-2-yl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide (PubChem CID 58256181) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is (2R)-2-[(7-ethoxynaphthalen-2-yl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[(7-ethoxynaphthalen-2-yl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide
PubChem CID58256181
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC Name(2R)-2-[(7-ethoxynaphthalen-2-yl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide
SMILESCCOc1ccc2ccc(S(=O)(=O)N(Cc3cccnc3)[C@@H](C(=O)NO)C(C)C)cc2c1
InChIInChI=1S/C23H27N3O5S/c1-4-31-20-9-7-18-8-10-21(13-19(18)12-20)32(29,30)26(15-17-6-5-11-24-14-17)22(16(2)3)23(27)25-28/h5-14,16,22,28H,4,15H2,1-3H3,(H,25,27)/t22-/m1/s1
InChIKeyQJAZJVWOWPUYNR-JOCHJYFZSA-N
XLogP3.35
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-ethoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide;hydrochloride
CID 22856296
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide;hydrochloride
CID 22907040
(2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide
CID 91799153
(2R)-N-(111C)methoxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide
CID 10971531
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]propanamide
CID 89137426
(2R)-2-[(2-fluoro-4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide
CID 10319425
(2R)-N-[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide
CID 22859998
(2S)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pentanamide
CID 177375287
(2R)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-N-oxobutanamide
CID 23585918
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-phenylpropanamide
CID 170380842
(2R)-N-[(2,4-dimethoxyphenyl)methoxy]-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide
CID 22859996
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-4,4-dimethylpentanamide
CID 10526209

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(7-ethoxynaphthalen-2-yl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of (2R)-2-[(7-ethoxynaphthalen-2-yl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide (CID 58256181) is (2R)-2-[(7-ethoxynaphthalen-2-yl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[(7-ethoxynaphthalen-2-yl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for (2R)-2-[(7-ethoxynaphthalen-2-yl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide is CCOc1ccc2ccc(S(=O)(=O)N(Cc3cccnc3)[C@@H](C(=O)NO)C(C)C)cc2c1.
What is the InChIKey of (2R)-2-[(7-ethoxynaphthalen-2-yl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide?
The InChIKey is QJAZJVWOWPUYNR-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-4-31-20-9-7-18-8-10-21(13-19(18)12-20)32(29,30)26(15-17-6-5-11-24-14-17)22(16(2)3)23(27)25-28/h5-14,16,22,28H,4,15H2,1-3H3,(H,25,27)/t22-/m1/s1.
What are the key properties of (2R)-2-[(7-ethoxynaphthalen-2-yl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide?
(2R)-2-[(7-ethoxynaphthalen-2-yl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide has a molecular weight of 457.55 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(7-ethoxynaphthalen-2-yl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 58256181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).