2-(7-ethyl-1H-indol-3-yl)-N-[(4-hydroxythian-4-yl)methyl]acetamide

C18H24N2O2S — CID 111484654

IUPAC2-(7-ethyl-1H-indol-3-yl)-N-[(4-hydroxythian-4-yl)methyl]acetamide
SMILESCCc1cccc2c(CC(=O)NCC3(O)CCSCC3)c[nH]c12
InChIInChI=1S/C18H24N2O2S/c1-2-13-4-3-5-15-14(11-19-17(13)15)10-16(21)20-12-18(22)6-8-23-9-7-18/h3-5,11,19,22H,2,6-10,12H2,1H3,(H,20,21)
InChIKeyHJMUAAYWBBWRLR-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.65
Rot. Bonds5

About 2-(7-ethyl-1H-indol-3-yl)-N-[(4-hydroxythian-4-yl)methyl]acetamide

2-(7-ethyl-1H-indol-3-yl)-N-[(4-hydroxythian-4-yl)methyl]acetamide (PubChem CID 111484654) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-(7-ethyl-1H-indol-3-yl)-N-[(4-hydroxythian-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(7-ethyl-1H-indol-3-yl)-N-[(4-hydroxythian-4-yl)methyl]acetamide
PubChem CID111484654
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name2-(7-ethyl-1H-indol-3-yl)-N-[(4-hydroxythian-4-yl)methyl]acetamide
SMILESCCc1cccc2c(CC(=O)NCC3(O)CCSCC3)c[nH]c12
InChIInChI=1S/C18H24N2O2S/c1-2-13-4-3-5-15-14(11-19-17(13)15)10-16(21)20-12-18(22)6-8-23-9-7-18/h3-5,11,19,22H,2,6-10,12H2,1H3,(H,20,21)
InChIKeyHJMUAAYWBBWRLR-UHFFFAOYSA-N
XLogP2.65
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-1H-indol-3-yl)-N-[(4-hydroxythian-4-yl)methyl]acetamide?
The IUPAC name of 2-(7-ethyl-1H-indol-3-yl)-N-[(4-hydroxythian-4-yl)methyl]acetamide (CID 111484654) is 2-(7-ethyl-1H-indol-3-yl)-N-[(4-hydroxythian-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(7-ethyl-1H-indol-3-yl)-N-[(4-hydroxythian-4-yl)methyl]acetamide?
The canonical SMILES for 2-(7-ethyl-1H-indol-3-yl)-N-[(4-hydroxythian-4-yl)methyl]acetamide is CCc1cccc2c(CC(=O)NCC3(O)CCSCC3)c[nH]c12.
What is the InChIKey of 2-(7-ethyl-1H-indol-3-yl)-N-[(4-hydroxythian-4-yl)methyl]acetamide?
The InChIKey is HJMUAAYWBBWRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-2-13-4-3-5-15-14(11-19-17(13)15)10-16(21)20-12-18(22)6-8-23-9-7-18/h3-5,11,19,22H,2,6-10,12H2,1H3,(H,20,21).
What are the key properties of 2-(7-ethyl-1H-indol-3-yl)-N-[(4-hydroxythian-4-yl)methyl]acetamide?
2-(7-ethyl-1H-indol-3-yl)-N-[(4-hydroxythian-4-yl)methyl]acetamide has a molecular weight of 332.47 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-1H-indol-3-yl)-N-[(4-hydroxythian-4-yl)methyl]acetamide is sourced from PubChem (CID 111484654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).