N-benzyl-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C24H26N2O3S — CID 1000070

IUPACN-benzyl-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCc1ccccc1N(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H26N2O3S/c1-3-21-11-7-8-12-23(21)26(30(28,29)22-15-13-19(2)14-16-22)18-24(27)25-17-20-9-5-4-6-10-20/h4-16H,3,17-18H2,1-2H3,(H,25,27)
InChIKeyMDFMAFZXRKAGSN-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.07
Rot. Bonds8

About N-benzyl-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-benzyl-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 1000070) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-benzyl-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID1000070
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN-benzyl-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCc1ccccc1N(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H26N2O3S/c1-3-21-11-7-8-12-23(21)26(30(28,29)22-15-13-19(2)14-16-22)18-24(27)25-17-20-9-5-4-6-10-20/h4-16H,3,17-18H2,1-2H3,(H,25,27)
InChIKeyMDFMAFZXRKAGSN-UHFFFAOYSA-N
XLogP4.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-benzyl-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 1000070) is N-benzyl-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-benzyl-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-benzyl-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is CCc1ccccc1N(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-benzyl-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is MDFMAFZXRKAGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-3-21-11-7-8-12-23(21)26(30(28,29)22-15-13-19(2)14-16-22)18-24(27)25-17-20-9-5-4-6-10-20/h4-16H,3,17-18H2,1-2H3,(H,25,27).
What are the key properties of N-benzyl-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-benzyl-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 422.55 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 1000070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).