N-(4-methoxyphenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide

C27H22N2O5S2 — CID 44570230

IUPACN-(4-methoxyphenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)COc2cccc3[nH]cc(Sc4ccc5ccccc5c4)c23)cc1
InChIInChI=1S/C27H22N2O5S2/c1-33-20-10-13-22(14-11-20)36(31,32)29-26(30)17-34-24-8-4-7-23-27(24)25(16-28-23)35-21-12-9-18-5-2-3-6-19(18)15-21/h2-16,28H,17H2,1H3,(H,29,30)
InChIKeyLJUGYBNHVYXRRK-UHFFFAOYSA-N
MW518.62 g/mol
LogP5.36
Rot. Bonds8

About N-(4-methoxyphenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide

N-(4-methoxyphenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide (PubChem CID 44570230) has the molecular formula C27H22N2O5S2 and a molecular weight of 518.62 g/mol. Its IUPAC name is N-(4-methoxyphenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide
PubChem CID44570230
Molecular FormulaC27H22N2O5S2
Molecular Weight518.62 g/mol
Exact Mass518.10
IUPAC NameN-(4-methoxyphenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)COc2cccc3[nH]cc(Sc4ccc5ccccc5c4)c23)cc1
InChIInChI=1S/C27H22N2O5S2/c1-33-20-10-13-22(14-11-20)36(31,32)29-26(30)17-34-24-8-4-7-23-27(24)25(16-28-23)35-21-12-9-18-5-2-3-6-19(18)15-21/h2-16,28H,17H2,1H3,(H,29,30)
InChIKeyLJUGYBNHVYXRRK-UHFFFAOYSA-N
XLogP5.36
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.62
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide?
The IUPAC name of N-(4-methoxyphenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide (CID 44570230) is N-(4-methoxyphenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide is COc1ccc(S(=O)(=O)NC(=O)COc2cccc3[nH]cc(Sc4ccc5ccccc5c4)c23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide?
The InChIKey is LJUGYBNHVYXRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O5S2/c1-33-20-10-13-22(14-11-20)36(31,32)29-26(30)17-34-24-8-4-7-23-27(24)25(16-28-23)35-21-12-9-18-5-2-3-6-19(18)15-21/h2-16,28H,17H2,1H3,(H,29,30).
What are the key properties of N-(4-methoxyphenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide?
N-(4-methoxyphenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide has a molecular weight of 518.62 g/mol, XLogP of 5.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide is sourced from PubChem (CID 44570230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).