5-ethyl-N-hydroxy-2-[[(4-methoxyphenyl)sulfonylamino]-(pyridin-3-ylmethyl)amino]-3-methylbenzamide

C23H26N4O5S — CID 142641474

IUPAC5-ethyl-N-hydroxy-2-[[(4-methoxyphenyl)sulfonylamino]-(pyridin-3-ylmethyl)amino]-3-methylbenzamide
SMILESCCc1cc(C)c(N(Cc2cccnc2)NS(=O)(=O)c2ccc(OC)cc2)c(C(=O)NO)c1
InChIInChI=1S/C23H26N4O5S/c1-4-17-12-16(2)22(21(13-17)23(28)25-29)27(15-18-6-5-11-24-14-18)26-33(30,31)20-9-7-19(32-3)8-10-20/h5-14,26,29H,4,15H2,1-3H3,(H,25,28)
InChIKeyFQBGXDDEGJMSTC-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.98
Rot. Bonds9

About 5-ethyl-N-hydroxy-2-[[(4-methoxyphenyl)sulfonylamino]-(pyridin-3-ylmethyl)amino]-3-methylbenzamide

5-ethyl-N-hydroxy-2-[[(4-methoxyphenyl)sulfonylamino]-(pyridin-3-ylmethyl)amino]-3-methylbenzamide (PubChem CID 142641474) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is 5-ethyl-N-hydroxy-2-[[(4-methoxyphenyl)sulfonylamino]-(pyridin-3-ylmethyl)amino]-3-methylbenzamide.

Molecular Properties

Compound Name5-ethyl-N-hydroxy-2-[[(4-methoxyphenyl)sulfonylamino]-(pyridin-3-ylmethyl)amino]-3-methylbenzamide
PubChem CID142641474
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Name5-ethyl-N-hydroxy-2-[[(4-methoxyphenyl)sulfonylamino]-(pyridin-3-ylmethyl)amino]-3-methylbenzamide
SMILESCCc1cc(C)c(N(Cc2cccnc2)NS(=O)(=O)c2ccc(OC)cc2)c(C(=O)NO)c1
InChIInChI=1S/C23H26N4O5S/c1-4-17-12-16(2)22(21(13-17)23(28)25-29)27(15-18-6-5-11-24-14-18)26-33(30,31)20-9-7-19(32-3)8-10-20/h5-14,26,29H,4,15H2,1-3H3,(H,25,28)
InChIKeyFQBGXDDEGJMSTC-UHFFFAOYSA-N
XLogP2.98
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.98
H-Bond Donors ≤ 53
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

methyl 2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3,5-dimethylbenzoate
CID 70055629
5-bromo-N-hydroxy-2-[(4-methoxyphenyl)sulfanyl-(pyridin-3-ylmethyl)amino]-3-methylbenzamide
CID 142961768
N-hydroxy-1-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10120813
methyl 5-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
CID 54295788
N-hydroxy-8-methoxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]quinoline-3-carboxamide
CID 10141426
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55993514
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]propanamide
CID 89137426
(2S)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pentanamide
CID 177375287
N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10206977
methyl 5-(5-chlorothiophen-2-yl)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbenzoate
CID 70055239
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-phenylpropanamide
CID 170380842
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide;hydrochloride
CID 22907040

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-hydroxy-2-[[(4-methoxyphenyl)sulfonylamino]-(pyridin-3-ylmethyl)amino]-3-methylbenzamide?
The IUPAC name of 5-ethyl-N-hydroxy-2-[[(4-methoxyphenyl)sulfonylamino]-(pyridin-3-ylmethyl)amino]-3-methylbenzamide (CID 142641474) is 5-ethyl-N-hydroxy-2-[[(4-methoxyphenyl)sulfonylamino]-(pyridin-3-ylmethyl)amino]-3-methylbenzamide.
What is the SMILES notation for 5-ethyl-N-hydroxy-2-[[(4-methoxyphenyl)sulfonylamino]-(pyridin-3-ylmethyl)amino]-3-methylbenzamide?
The canonical SMILES for 5-ethyl-N-hydroxy-2-[[(4-methoxyphenyl)sulfonylamino]-(pyridin-3-ylmethyl)amino]-3-methylbenzamide is CCc1cc(C)c(N(Cc2cccnc2)NS(=O)(=O)c2ccc(OC)cc2)c(C(=O)NO)c1.
What is the InChIKey of 5-ethyl-N-hydroxy-2-[[(4-methoxyphenyl)sulfonylamino]-(pyridin-3-ylmethyl)amino]-3-methylbenzamide?
The InChIKey is FQBGXDDEGJMSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-4-17-12-16(2)22(21(13-17)23(28)25-29)27(15-18-6-5-11-24-14-18)26-33(30,31)20-9-7-19(32-3)8-10-20/h5-14,26,29H,4,15H2,1-3H3,(H,25,28).
What are the key properties of 5-ethyl-N-hydroxy-2-[[(4-methoxyphenyl)sulfonylamino]-(pyridin-3-ylmethyl)amino]-3-methylbenzamide?
5-ethyl-N-hydroxy-2-[[(4-methoxyphenyl)sulfonylamino]-(pyridin-3-ylmethyl)amino]-3-methylbenzamide has a molecular weight of 470.55 g/mol, XLogP of 2.98, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-hydroxy-2-[[(4-methoxyphenyl)sulfonylamino]-(pyridin-3-ylmethyl)amino]-3-methylbenzamide is sourced from PubChem (CID 142641474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).