2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-ethoxyphenyl)acetamide

C23H23ClN2O4S — CID 1260663

IUPAC2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-3-30-20-12-10-19(11-13-20)25-23(27)16-26(22-14-9-18(24)15-17(22)2)31(28,29)21-7-5-4-6-8-21/h4-15H,3,16H2,1-2H3,(H,25,27)
InChIKeyPNUXFTBCXAZHTD-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.88
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-ethoxyphenyl)acetamide

2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-ethoxyphenyl)acetamide (PubChem CID 1260663) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-ethoxyphenyl)acetamide
PubChem CID1260663
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC Name2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-3-30-20-12-10-19(11-13-20)25-23(27)16-26(22-14-9-18(24)15-17(22)2)31(28,29)21-7-5-4-6-8-21/h4-15H,3,16H2,1-2H3,(H,25,27)
InChIKeyPNUXFTBCXAZHTD-UHFFFAOYSA-N
XLogP4.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-ethoxyphenyl)acetamide (CID 1260663) is 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is PNUXFTBCXAZHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-3-30-20-12-10-19(11-13-20)25-23(27)16-26(22-14-9-18(24)15-17(22)2)31(28,29)21-7-5-4-6-8-21/h4-15H,3,16H2,1-2H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-ethoxyphenyl)acetamide?
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 458.97 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 1260663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).