3-acetamido-N-[2-(4-chlorophenyl)ethyl]-4-(4-chlorophenyl)sulfonylbenzamide

C23H20Cl2N2O4S — CID 3451187

IUPAC3-acetamido-N-[2-(4-chlorophenyl)ethyl]-4-(4-chlorophenyl)sulfonylbenzamide
SMILESCC(=O)Nc1cc(C(=O)NCCc2ccc(Cl)cc2)ccc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H20Cl2N2O4S/c1-15(28)27-21-14-17(23(29)26-13-12-16-2-5-18(24)6-3-16)4-11-22(21)32(30,31)20-9-7-19(25)8-10-20/h2-11,14H,12-13H2,1H3,(H,26,29)(H,27,28)
InChIKeyXBDNKYAOXVSLHB-UHFFFAOYSA-N
MW491.40 g/mol
LogP4.76
Rot. Bonds7

About 3-acetamido-N-[2-(4-chlorophenyl)ethyl]-4-(4-chlorophenyl)sulfonylbenzamide

3-acetamido-N-[2-(4-chlorophenyl)ethyl]-4-(4-chlorophenyl)sulfonylbenzamide (PubChem CID 3451187) has the molecular formula C23H20Cl2N2O4S and a molecular weight of 491.40 g/mol. Its IUPAC name is 3-acetamido-N-[2-(4-chlorophenyl)ethyl]-4-(4-chlorophenyl)sulfonylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(4-chlorophenyl)ethyl]-4-(4-chlorophenyl)sulfonylbenzamide
PubChem CID3451187
Molecular FormulaC23H20Cl2N2O4S
Molecular Weight491.40 g/mol
Exact Mass490.05
IUPAC Name3-acetamido-N-[2-(4-chlorophenyl)ethyl]-4-(4-chlorophenyl)sulfonylbenzamide
SMILESCC(=O)Nc1cc(C(=O)NCCc2ccc(Cl)cc2)ccc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H20Cl2N2O4S/c1-15(28)27-21-14-17(23(29)26-13-12-16-2-5-18(24)6-3-16)4-11-22(21)32(30,31)20-9-7-19(25)8-10-20/h2-11,14H,12-13H2,1H3,(H,26,29)(H,27,28)
InChIKeyXBDNKYAOXVSLHB-UHFFFAOYSA-N
XLogP4.76
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.40
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(butanoylamino)-4-(4-chlorophenyl)sulfonyl-N-[2-(4-methylphenyl)ethyl]benzamide
CID 4048482
N-[2-(4-chlorophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 2468773
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
4-chloro-N-[2-(4-chlorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92532196
1-[3-[2-(4-chlorophenyl)ethylamino]-4-methylsulfonylphenyl]ethanone
CID 133462762
N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4289503
N-[2-(4-acetamidophenyl)ethyl]-3,4-difluorobenzamide
CID 56825610
N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 42064223
2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenyl]sulfonylphenyl]acetic acid
CID 59644684
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
tert-butyl N-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]carbamate
CID 9268246
N-[2-(4-chlorophenyl)ethyl]-3-(propylsulfamoyl)benzamide
CID 109061886

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(4-chlorophenyl)ethyl]-4-(4-chlorophenyl)sulfonylbenzamide?
The IUPAC name of 3-acetamido-N-[2-(4-chlorophenyl)ethyl]-4-(4-chlorophenyl)sulfonylbenzamide (CID 3451187) is 3-acetamido-N-[2-(4-chlorophenyl)ethyl]-4-(4-chlorophenyl)sulfonylbenzamide.
What is the SMILES notation for 3-acetamido-N-[2-(4-chlorophenyl)ethyl]-4-(4-chlorophenyl)sulfonylbenzamide?
The canonical SMILES for 3-acetamido-N-[2-(4-chlorophenyl)ethyl]-4-(4-chlorophenyl)sulfonylbenzamide is CC(=O)Nc1cc(C(=O)NCCc2ccc(Cl)cc2)ccc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-N-[2-(4-chlorophenyl)ethyl]-4-(4-chlorophenyl)sulfonylbenzamide?
The InChIKey is XBDNKYAOXVSLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O4S/c1-15(28)27-21-14-17(23(29)26-13-12-16-2-5-18(24)6-3-16)4-11-22(21)32(30,31)20-9-7-19(25)8-10-20/h2-11,14H,12-13H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 3-acetamido-N-[2-(4-chlorophenyl)ethyl]-4-(4-chlorophenyl)sulfonylbenzamide?
3-acetamido-N-[2-(4-chlorophenyl)ethyl]-4-(4-chlorophenyl)sulfonylbenzamide has a molecular weight of 491.40 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(4-chlorophenyl)ethyl]-4-(4-chlorophenyl)sulfonylbenzamide is sourced from PubChem (CID 3451187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).