N-benzyl-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide

C23H23BrN2O4S — CID 1050013

IUPACN-benzyl-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
SMILESCCOc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H23BrN2O4S/c1-2-30-21-12-10-20(11-13-21)26(31(28,29)22-14-8-19(24)9-15-22)17-23(27)25-16-18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3,(H,25,27)
InChIKeyCCFVYEXEJQCEBS-UHFFFAOYSA-N
MW503.42 g/mol
LogP4.36
Rot. Bonds9

About N-benzyl-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide

N-benzyl-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide (PubChem CID 1050013) has the molecular formula C23H23BrN2O4S and a molecular weight of 503.42 g/mol. Its IUPAC name is N-benzyl-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
PubChem CID1050013
Molecular FormulaC23H23BrN2O4S
Molecular Weight503.42 g/mol
Exact Mass502.06
IUPAC NameN-benzyl-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
SMILESCCOc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H23BrN2O4S/c1-2-30-21-12-10-20(11-13-21)26(31(28,29)22-14-8-19(24)9-15-22)17-23(27)25-16-18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3,(H,25,27)
InChIKeyCCFVYEXEJQCEBS-UHFFFAOYSA-N
XLogP4.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 6620763
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2958511
N-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 1311358
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30304403
N-(3-benzylsulfanylpropyl)-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 43897203
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-(benzenesulfonyl)-4-bromoanilino]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 30304216
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
N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 28571064
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 1129567

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide?
The IUPAC name of N-benzyl-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide (CID 1050013) is N-benzyl-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide.
What is the SMILES notation for N-benzyl-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide?
The canonical SMILES for N-benzyl-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide is CCOc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-benzyl-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide?
The InChIKey is CCFVYEXEJQCEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O4S/c1-2-30-21-12-10-20(11-13-21)26(31(28,29)22-14-8-19(24)9-15-22)17-23(27)25-16-18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3,(H,25,27).
What are the key properties of N-benzyl-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide?
N-benzyl-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide has a molecular weight of 503.42 g/mol, XLogP of 4.36, 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-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide is sourced from PubChem (CID 1050013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).