2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide

C21H27N3O5S — CID 982968

IUPAC2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C21H27N3O5S/c1-15(2)13-22-21(26)18-7-5-6-8-19(18)23-20(25)14-24(30(4,27)28)16-9-11-17(29-3)12-10-16/h5-12,15H,13-14H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyNEBXSJYCDXWMHU-UHFFFAOYSA-N
MW433.53 g/mol
LogP2.49
Rot. Bonds9

About 2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide

2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 982968) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID982968
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC Name2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C21H27N3O5S/c1-15(2)13-22-21(26)18-7-5-6-8-19(18)23-20(25)14-24(30(4,27)28)16-9-11-17(29-3)12-10-16/h5-12,15H,13-14H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyNEBXSJYCDXWMHU-UHFFFAOYSA-N
XLogP2.49
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide (CID 982968) is 2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide is COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is NEBXSJYCDXWMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-15(2)13-22-21(26)18-7-5-6-8-19(18)23-20(25)14-24(30(4,27)28)16-9-11-17(29-3)12-10-16/h5-12,15H,13-14H2,1-4H3,(H,22,26)(H,23,25).
What are the key properties of 2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide?
2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 433.53 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 982968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).