2-(3-benzylsulfonylindol-1-yl)-N-(2,4-dimethoxyphenyl)acetamide

C25H24N2O5S — CID 12005987

IUPAC2-(3-benzylsulfonylindol-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)c(OC)c1
InChIInChI=1S/C25H24N2O5S/c1-31-19-12-13-21(23(14-19)32-2)26-25(28)16-27-15-24(20-10-6-7-11-22(20)27)33(29,30)17-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,26,28)
InChIKeyGRAHFHBDNQKUIY-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.27
Rot. Bonds8

About 2-(3-benzylsulfonylindol-1-yl)-N-(2,4-dimethoxyphenyl)acetamide

2-(3-benzylsulfonylindol-1-yl)-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 12005987) has the molecular formula C25H24N2O5S and a molecular weight of 464.54 g/mol. Its IUPAC name is 2-(3-benzylsulfonylindol-1-yl)-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzylsulfonylindol-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID12005987
Molecular FormulaC25H24N2O5S
Molecular Weight464.54 g/mol
Exact Mass464.14
IUPAC Name2-(3-benzylsulfonylindol-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)c(OC)c1
InChIInChI=1S/C25H24N2O5S/c1-31-19-12-13-21(23(14-19)32-2)26-25(28)16-27-15-24(20-10-6-7-11-22(20)27)33(29,30)17-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,26,28)
InChIKeyGRAHFHBDNQKUIY-UHFFFAOYSA-N
XLogP4.27
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 20911242
N-(2,4-dimethoxyphenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911157
N-(2-methoxyphenyl)-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292518
N-(2,4-dimethoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonylacetamide
CID 16812456
2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 30291970
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 30292321
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 20911233
2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 30558854
2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide
CID 30558852
2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide
CID 30558630
2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide
CID 30558816
2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 30560697

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylsulfonylindol-1-yl)-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(3-benzylsulfonylindol-1-yl)-N-(2,4-dimethoxyphenyl)acetamide (CID 12005987) is 2-(3-benzylsulfonylindol-1-yl)-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-benzylsulfonylindol-1-yl)-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-benzylsulfonylindol-1-yl)-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)c(OC)c1.
What is the InChIKey of 2-(3-benzylsulfonylindol-1-yl)-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is GRAHFHBDNQKUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5S/c1-31-19-12-13-21(23(14-19)32-2)26-25(28)16-27-15-24(20-10-6-7-11-22(20)27)33(29,30)17-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,26,28).
What are the key properties of 2-(3-benzylsulfonylindol-1-yl)-N-(2,4-dimethoxyphenyl)acetamide?
2-(3-benzylsulfonylindol-1-yl)-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 464.54 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylsulfonylindol-1-yl)-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 12005987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).