N-benzyl-2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide

C25H27N3O5S — CID 1311681

IUPACN-benzyl-2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
SMILESCOc1ccc(C)cc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C25H27N3O5S/c1-18-13-14-23(33-2)22(15-18)28(34(3,31)32)17-24(29)27-21-12-8-7-11-20(21)25(30)26-16-19-9-5-4-6-10-19/h4-15H,16-17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyGXIRPBMJXNKRAJ-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.34
Rot. Bonds9

About N-benzyl-2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide

N-benzyl-2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide (PubChem CID 1311681) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is N-benzyl-2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
PubChem CID1311681
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC NameN-benzyl-2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
SMILESCOc1ccc(C)cc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C25H27N3O5S/c1-18-13-14-23(33-2)22(15-18)28(34(3,31)32)17-24(29)27-21-12-8-7-11-20(21)25(30)26-16-19-9-5-4-6-10-19/h4-15H,16-17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyGXIRPBMJXNKRAJ-UHFFFAOYSA-N
XLogP3.34
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[[2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetyl]amino]benzamide
CID 2301794
N-benzyl-2-[[2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126034218
2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 40986070
N-(2-bromophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 1100120
2-[[2-(2,5-dimethoxy-N-methylsulfonylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 2957888
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 17313016
N-benzyl-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 1307009
N-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1102401
2-[[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126139978
2-[[2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetyl]amino]-N-benzylbenzamide
CID 4619682
2-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide
CID 126134629
N-benzyl-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 1302162

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide (CID 1311681) is N-benzyl-2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide is COc1ccc(C)cc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-benzyl-2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide?
The InChIKey is GXIRPBMJXNKRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-18-13-14-23(33-2)22(15-18)28(34(3,31)32)17-24(29)27-21-12-8-7-11-20(21)25(30)26-16-19-9-5-4-6-10-19/h4-15H,16-17H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of N-benzyl-2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide?
N-benzyl-2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide has a molecular weight of 481.57 g/mol, XLogP of 3.34, 9 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-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 1311681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).