2-(4-methoxyphenyl)sulfanyl-3-propan-2-yl-1H-indole

C18H19NOS — CID 11779398

IUPAC2-(4-methoxyphenyl)sulfanyl-3-propan-2-yl-1H-indole
SMILESCOc1ccc(Sc2[nH]c3ccccc3c2C(C)C)cc1
InChIInChI=1S/C18H19NOS/c1-12(2)17-15-6-4-5-7-16(15)19-18(17)21-14-10-8-13(20-3)9-11-14/h4-12,19H,1-3H3
InChIKeyMHAMZKONEOZEGO-UHFFFAOYSA-N
MW297.42 g/mol
LogP5.45
Rot. Bonds4

About 2-(4-methoxyphenyl)sulfanyl-3-propan-2-yl-1H-indole

2-(4-methoxyphenyl)sulfanyl-3-propan-2-yl-1H-indole (PubChem CID 11779398) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-3-propan-2-yl-1H-indole
PubChem CID11779398
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name2-(4-methoxyphenyl)sulfanyl-3-propan-2-yl-1H-indole
SMILESCOc1ccc(Sc2[nH]c3ccccc3c2C(C)C)cc1
InChIInChI=1S/C18H19NOS/c1-12(2)17-15-6-4-5-7-16(15)19-18(17)21-14-10-8-13(20-3)9-11-14/h4-12,19H,1-3H3
InChIKeyMHAMZKONEOZEGO-UHFFFAOYSA-N
XLogP5.45
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.42
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-3-propan-2-yl-1H-indole?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-3-propan-2-yl-1H-indole (CID 11779398) is 2-(4-methoxyphenyl)sulfanyl-3-propan-2-yl-1H-indole.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-3-propan-2-yl-1H-indole?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-3-propan-2-yl-1H-indole is COc1ccc(Sc2[nH]c3ccccc3c2C(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-3-propan-2-yl-1H-indole?
The InChIKey is MHAMZKONEOZEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-12(2)17-15-6-4-5-7-16(15)19-18(17)21-14-10-8-13(20-3)9-11-14/h4-12,19H,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-3-propan-2-yl-1H-indole?
2-(4-methoxyphenyl)sulfanyl-3-propan-2-yl-1H-indole has a molecular weight of 297.42 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-3-propan-2-yl-1H-indole is sourced from PubChem (CID 11779398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).