N-benzyl-2-[[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide

C31H31N3O5S — CID 126031358

IUPACN-benzyl-2-[[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C31H31N3O5S/c1-3-39-29-16-10-9-15-28(29)34(40(37,38)25-19-17-23(2)18-20-25)22-30(35)33-27-14-8-7-13-26(27)31(36)32-21-24-11-5-4-6-12-24/h4-20H,3,21-22H2,1-2H3,(H,32,36)(H,33,35)
InChIKeyNWJPSWAYEAYOTH-UHFFFAOYSA-N
MW557.67 g/mol
LogP5.16
Rot. Bonds11

About N-benzyl-2-[[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide

N-benzyl-2-[[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide (PubChem CID 126031358) has the molecular formula C31H31N3O5S and a molecular weight of 557.67 g/mol. Its IUPAC name is N-benzyl-2-[[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
PubChem CID126031358
Molecular FormulaC31H31N3O5S
Molecular Weight557.67 g/mol
Exact Mass557.20
IUPAC NameN-benzyl-2-[[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C31H31N3O5S/c1-3-39-29-16-10-9-15-28(29)34(40(37,38)25-19-17-23(2)18-20-25)22-30(35)33-27-14-8-7-13-26(27)31(36)32-21-24-11-5-4-6-12-24/h4-20H,3,21-22H2,1-2H3,(H,32,36)(H,33,35)
InChIKeyNWJPSWAYEAYOTH-UHFFFAOYSA-N
XLogP5.16
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.67
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126029957
N-[(2S)-butan-2-yl]-2-[[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126121860
N-benzyl-2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126031695
N-benzyl-2-[[2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126032362
N-benzyl-2-[[2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126034218
2-[[2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetyl]amino]benzamide
CID 126029637
N-benzyl-2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 23823171
2-[[2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126181164
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1210636
N-(2-ethoxyphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 998705
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-methylphenyl)acetamide
CID 1364387
2-[[2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 126410543

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide (CID 126031358) is N-benzyl-2-[[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide is CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-benzyl-2-[[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide?
The InChIKey is NWJPSWAYEAYOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O5S/c1-3-39-29-16-10-9-15-28(29)34(40(37,38)25-19-17-23(2)18-20-25)22-30(35)33-27-14-8-7-13-26(27)31(36)32-21-24-11-5-4-6-12-24/h4-20H,3,21-22H2,1-2H3,(H,32,36)(H,33,35).
What are the key properties of N-benzyl-2-[[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide?
N-benzyl-2-[[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide has a molecular weight of 557.67 g/mol, XLogP of 5.16, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 126031358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).