N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide

C23H24N2O4S — CID 6620763

IUPACN-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-2-29-21-13-15-22(16-14-21)30(27,28)25(20-11-7-4-8-12-20)18-23(26)24-17-19-9-5-3-6-10-19/h3-16H,2,17-18H2,1H3,(H,24,26)
InChIKeyZPSMIUSQIQRNFI-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.60
Rot. Bonds9

About N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide

N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide (PubChem CID 6620763) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
PubChem CID6620763
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-2-29-21-13-15-22(16-14-21)30(27,28)25(20-11-7-4-8-12-20)18-23(26)24-17-19-9-5-3-6-10-19/h3-16H,2,17-18H2,1H3,(H,24,26)
InChIKeyZPSMIUSQIQRNFI-UHFFFAOYSA-N
XLogP3.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2958511
N-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 1311358
N-benzyl-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 1050013
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30304403
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-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30306762
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 100604334
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 5020790
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 30304410
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133185344
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 99950546

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide (CID 6620763) is N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide?
The InChIKey is ZPSMIUSQIQRNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-2-29-21-13-15-22(16-14-21)30(27,28)25(20-11-7-4-8-12-20)18-23(26)24-17-19-9-5-3-6-10-19/h3-16H,2,17-18H2,1H3,(H,24,26).
What are the key properties of N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide?
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide has a molecular weight of 424.52 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 6620763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).