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

C25H27N3O5S — CID 30267975

IUPACN-benzyl-2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
SMILESCCOc1cccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C25H27N3O5S/c1-3-33-21-13-9-12-20(16-21)28(34(2,31)32)18-24(29)27-23-15-8-7-14-22(23)25(30)26-17-19-10-5-4-6-11-19/h4-16H,3,17-18H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyTWXAPVYNQFXIGZ-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.42
Rot. Bonds10

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

N-benzyl-2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide (PubChem CID 30267975) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is N-benzyl-2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
PubChem CID30267975
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC NameN-benzyl-2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
SMILESCCOc1cccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C25H27N3O5S/c1-3-33-21-13-9-12-20(16-21)28(34(2,31)32)18-24(29)27-23-15-8-7-14-22(23)25(30)26-17-19-10-5-4-6-11-19/h4-16H,3,17-18H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyTWXAPVYNQFXIGZ-UHFFFAOYSA-N
XLogP3.42
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 30276150
N-benzyl-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 1307009
2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 30264702
N-benzyl-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 1302162
N-(2,3-dichlorophenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30270996
N-benzyl-2-[(3-ethoxybenzoyl)amino]benzamide
CID 4957453
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
N-benzyl-2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 1311681
2-[[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 1316081
2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30257958

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide (CID 30267975) is N-benzyl-2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide is CCOc1cccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of N-benzyl-2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide?
The InChIKey is TWXAPVYNQFXIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-3-33-21-13-9-12-20(16-21)28(34(2,31)32)18-24(29)27-23-15-8-7-14-22(23)25(30)26-17-19-10-5-4-6-11-19/h4-16H,3,17-18H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-benzyl-2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide?
N-benzyl-2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide has a molecular weight of 481.57 g/mol, XLogP of 3.42, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 30267975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).