N-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide

C23H23ClN2O4S — CID 1311358

IUPACN-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-2-30-21-12-14-22(15-13-21)31(28,29)26(20-6-4-3-5-7-20)17-23(27)25-16-18-8-10-19(24)11-9-18/h3-15H,2,16-17H2,1H3,(H,25,27)
InChIKeyQUTNGHAIMLEJGE-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.25
Rot. Bonds9

About N-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide

N-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide (PubChem CID 1311358) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
PubChem CID1311358
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-2-30-21-12-14-22(15-13-21)31(28,29)26(20-6-4-3-5-7-20)17-23(27)25-16-18-8-10-19(24)11-9-18/h3-15H,2,16-17H2,1H3,(H,25,27)
InChIKeyQUTNGHAIMLEJGE-UHFFFAOYSA-N
XLogP4.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 6620763
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 126033598
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 1129567
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2958511
N-benzyl-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 1050013
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 1318540
N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 28571064
N-[(4-ethoxyphenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30273048
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 1364923
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30304403
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-chlorophenyl)acetamide
CID 1343150
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 5020790

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide (CID 1311358) is N-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide?
The InChIKey is QUTNGHAIMLEJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-2-30-21-12-14-22(15-13-21)31(28,29)26(20-6-4-3-5-7-20)17-23(27)25-16-18-8-10-19(24)11-9-18/h3-15H,2,16-17H2,1H3,(H,25,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide?
N-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide has a molecular weight of 458.97 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 1311358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).