2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide

C24H26N4O5S — CID 30276150

IUPAC2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCCOc1cccc(N(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)S(C)(=O)=O)c1
InChIInChI=1S/C24H26N4O5S/c1-3-33-20-10-6-9-19(14-20)28(34(2,31)32)17-23(29)27-22-12-5-4-11-21(22)24(30)26-16-18-8-7-13-25-15-18/h4-15H,3,16-17H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyZRSOJCHCSNLQBQ-UHFFFAOYSA-N
MW482.56 g/mol
LogP2.82
Rot. Bonds10

About 2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide

2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 30276150) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is 2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID30276150
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC Name2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCCOc1cccc(N(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)S(C)(=O)=O)c1
InChIInChI=1S/C24H26N4O5S/c1-3-33-20-10-6-9-19(14-20)28(34(2,31)32)17-23(29)27-22-12-5-4-11-21(22)24(30)26-16-18-8-7-13-25-15-18/h4-15H,3,16-17H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyZRSOJCHCSNLQBQ-UHFFFAOYSA-N
XLogP2.82
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 30267975
2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 30264702
N-(2,3-dichlorophenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30270996
N-benzyl-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 1307009
2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 21173810
N-benzyl-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 1302162
2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986089
methyl 2-[[2-(3-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 1097999
2-(3-ethoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 30262151
N-(2,6-dimethylphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30258396
2-(3-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113157287
2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30257958

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide (CID 30276150) is 2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide is CCOc1cccc(N(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is ZRSOJCHCSNLQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-3-33-20-10-6-9-19(14-20)28(34(2,31)32)17-23(29)27-22-12-5-4-11-21(22)24(30)26-16-18-8-7-13-25-15-18/h4-15H,3,16-17H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 482.56 g/mol, XLogP of 2.82, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 30276150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).