N-benzyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide

C17H20N2O4S — CID 2271528

IUPACN-benzyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)NCc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H20N2O4S/c1-23-16-10-8-15(9-11-16)19(24(2,21)22)13-17(20)18-12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,18,20)
InChIKeyCQPWZYUNWHGCBC-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.78
Rot. Bonds7

About N-benzyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide

N-benzyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide (PubChem CID 2271528) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-benzyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
PubChem CID2271528
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-benzyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)NCc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H20N2O4S/c1-23-16-10-8-15(9-11-16)19(24(2,21)22)13-17(20)18-12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,18,20)
InChIKeyCQPWZYUNWHGCBC-UHFFFAOYSA-N
XLogP1.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-benzyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide (CID 2271528) is N-benzyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-benzyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-benzyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide is COc1ccc(N(CC(=O)NCc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-benzyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is CQPWZYUNWHGCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-23-16-10-8-15(9-11-16)19(24(2,21)22)13-17(20)18-12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,18,20).
What are the key properties of N-benzyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide?
N-benzyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 348.42 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 2271528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).