N-(3-acetylphenyl)-2-(3-benzylsulfonylindol-1-yl)acetamide

C25H22N2O4S — CID 18573427

IUPACN-(3-acetylphenyl)-2-(3-benzylsulfonylindol-1-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)c1
InChIInChI=1S/C25H22N2O4S/c1-18(28)20-10-7-11-21(14-20)26-25(29)16-27-15-24(22-12-5-6-13-23(22)27)32(30,31)17-19-8-3-2-4-9-19/h2-15H,16-17H2,1H3,(H,26,29)
InChIKeyYIHUYUSHGWKUSB-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.46
Rot. Bonds7

About N-(3-acetylphenyl)-2-(3-benzylsulfonylindol-1-yl)acetamide

N-(3-acetylphenyl)-2-(3-benzylsulfonylindol-1-yl)acetamide (PubChem CID 18573427) has the molecular formula C25H22N2O4S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(3-benzylsulfonylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(3-benzylsulfonylindol-1-yl)acetamide
PubChem CID18573427
Molecular FormulaC25H22N2O4S
Molecular Weight446.53 g/mol
Exact Mass446.13
IUPAC NameN-(3-acetylphenyl)-2-(3-benzylsulfonylindol-1-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)c1
InChIInChI=1S/C25H22N2O4S/c1-18(28)20-10-7-11-21(14-20)26-25(29)16-27-15-24(22-12-5-6-13-23(22)27)32(30,31)17-19-8-3-2-4-9-19/h2-15H,16-17H2,1H3,(H,26,29)
InChIKeyYIHUYUSHGWKUSB-UHFFFAOYSA-N
XLogP4.46
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(3-benzylsulfonylindol-1-yl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(3-benzylsulfonylindol-1-yl)acetamide (CID 18573427) is N-(3-acetylphenyl)-2-(3-benzylsulfonylindol-1-yl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(3-benzylsulfonylindol-1-yl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(3-benzylsulfonylindol-1-yl)acetamide is CC(=O)c1cccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(3-benzylsulfonylindol-1-yl)acetamide?
The InChIKey is YIHUYUSHGWKUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4S/c1-18(28)20-10-7-11-21(14-20)26-25(29)16-27-15-24(22-12-5-6-13-23(22)27)32(30,31)17-19-8-3-2-4-9-19/h2-15H,16-17H2,1H3,(H,26,29).
What are the key properties of N-(3-acetylphenyl)-2-(3-benzylsulfonylindol-1-yl)acetamide?
N-(3-acetylphenyl)-2-(3-benzylsulfonylindol-1-yl)acetamide has a molecular weight of 446.53 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(3-benzylsulfonylindol-1-yl)acetamide is sourced from PubChem (CID 18573427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).