N-(4-methoxyphenyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide

C24H22N2O2S — CID 1270613

IUPACN-(4-methoxyphenyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2c(Sc3ccccc3)c3ccccc3n2C)cc1
InChIInChI=1S/C24H22N2O2S/c1-26-21-11-7-6-10-20(21)24(29-19-8-4-3-5-9-19)22(26)16-23(27)25-17-12-14-18(28-2)15-13-17/h3-15H,16H2,1-2H3,(H,25,27)
InChIKeyHJHZSYYRGZPSMO-UHFFFAOYSA-N
MW402.52 g/mol
LogP5.52
Rot. Bonds6

About N-(4-methoxyphenyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide

N-(4-methoxyphenyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide (PubChem CID 1270613) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide
PubChem CID1270613
Molecular FormulaC24H22N2O2S
Molecular Weight402.52 g/mol
Exact Mass402.14
IUPAC NameN-(4-methoxyphenyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2c(Sc3ccccc3)c3ccccc3n2C)cc1
InChIInChI=1S/C24H22N2O2S/c1-26-21-11-7-6-10-20(21)24(29-19-8-4-3-5-9-19)22(26)16-23(27)25-17-12-14-18(28-2)15-13-17/h3-15H,16H2,1-2H3,(H,25,27)
InChIKeyHJHZSYYRGZPSMO-UHFFFAOYSA-N
XLogP5.52
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide (CID 1270613) is N-(4-methoxyphenyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide is COc1ccc(NC(=O)Cc2c(Sc3ccccc3)c3ccccc3n2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide?
The InChIKey is HJHZSYYRGZPSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S/c1-26-21-11-7-6-10-20(21)24(29-19-8-4-3-5-9-19)22(26)16-23(27)25-17-12-14-18(28-2)15-13-17/h3-15H,16H2,1-2H3,(H,25,27).
What are the key properties of N-(4-methoxyphenyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide?
N-(4-methoxyphenyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide has a molecular weight of 402.52 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide is sourced from PubChem (CID 1270613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).