2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide

C25H23ClN2O5S — CID 20911242

IUPAC2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3Cl)c3ccccc32)c(OC)c1
InChIInChI=1S/C25H23ClN2O5S/c1-32-18-11-12-21(23(13-18)33-2)27-25(29)15-28-14-24(19-8-4-6-10-22(19)28)34(30,31)16-17-7-3-5-9-20(17)26/h3-14H,15-16H2,1-2H3,(H,27,29)
InChIKeyJDPQDPKOMJORJK-UHFFFAOYSA-N
MW498.99 g/mol
LogP4.92
Rot. Bonds8

About 2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide

2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 20911242) has the molecular formula C25H23ClN2O5S and a molecular weight of 498.99 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID20911242
Molecular FormulaC25H23ClN2O5S
Molecular Weight498.99 g/mol
Exact Mass498.10
IUPAC Name2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3Cl)c3ccccc32)c(OC)c1
InChIInChI=1S/C25H23ClN2O5S/c1-32-18-11-12-21(23(13-18)33-2)27-25(29)15-28-14-24(19-8-4-6-10-22(19)28)34(30,31)16-17-7-3-5-9-20(17)26/h3-14H,15-16H2,1-2H3,(H,27,29)
InChIKeyJDPQDPKOMJORJK-UHFFFAOYSA-N
XLogP4.92
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.99
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911157
2-(3-benzylsulfonylindol-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 12005987
methyl 2-[[2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate
CID 20911257
2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 20911238
N-(2,4-dimethoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonylacetamide
CID 16812456
2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide
CID 20911248
N-(2-chlorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292664
N-(2-methoxyphenyl)-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292518
N-(4-chloro-2-fluorophenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292105
2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 30291970
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 20911233
N-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292117

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide (CID 20911242) is 2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3Cl)c3ccccc32)c(OC)c1.
What is the InChIKey of 2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is JDPQDPKOMJORJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O5S/c1-32-18-11-12-21(23(13-18)33-2)27-25(29)15-28-14-24(19-8-4-6-10-22(19)28)34(30,31)16-17-7-3-5-9-20(17)26/h3-14H,15-16H2,1-2H3,(H,27,29).
What are the key properties of 2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide?
2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 498.99 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 20911242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).