2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide

C14H18N2OS — CID 49498410

IUPAC2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide
SMILESCCCn1ccc2cc(NC(=O)CSC)ccc21
InChIInChI=1S/C14H18N2OS/c1-3-7-16-8-6-11-9-12(4-5-13(11)16)15-14(17)10-18-2/h4-6,8-9H,3,7,10H2,1-2H3,(H,15,17)
InChIKeyZNGJOZBDJSBLMH-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.35
Rot. Bonds5

About 2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide

2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide (PubChem CID 49498410) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide
PubChem CID49498410
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide
SMILESCCCn1ccc2cc(NC(=O)CSC)ccc21
InChIInChI=1S/C14H18N2OS/c1-3-7-16-8-6-11-9-12(4-5-13(11)16)15-14(17)10-18-2/h4-6,8-9H,3,7,10H2,1-2H3,(H,15,17)
InChIKeyZNGJOZBDJSBLMH-UHFFFAOYSA-N
XLogP3.35
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride
CID 119865627
(2S)-2-amino-4-methylsulfanyl-N-(1-propylindol-5-yl)butanamide;dihydrochloride
CID 119865579
1-(3-hydroxypropyl)-3-(1-propylindol-5-yl)urea
CID 110936400
2-(2-oxo-1,3-diazinan-1-yl)-N-(1-propylindol-5-yl)acetamide
CID 71934971
N-(1-propylindol-5-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119865623
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(1-propylindol-5-yl)urea
CID 111926333
N-(1-propylindol-5-yl)-2-thiomorpholin-3-ylacetamide
CID 119941631
1-(4-hydroxycyclohexyl)-3-(1-propylindol-5-yl)urea
CID 110936399
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-propylindol-5-yl)propanamide
CID 49498521
4-(methoxymethyl)-N-(1-propylindol-5-yl)piperidine-4-carboxamide
CID 120645454
2-chloro-N-(1-propylindol-5-yl)pyridine-4-carboxamide
CID 52806998
N-(1-propylindol-5-yl)pyrrolidine-2-carboxamide
CID 119865612

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide?
The IUPAC name of 2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide (CID 49498410) is 2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide.
What is the SMILES notation for 2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide?
The canonical SMILES for 2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide is CCCn1ccc2cc(NC(=O)CSC)ccc21.
What is the InChIKey of 2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide?
The InChIKey is ZNGJOZBDJSBLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-7-16-8-6-11-9-12(4-5-13(11)16)15-14(17)10-18-2/h4-6,8-9H,3,7,10H2,1-2H3,(H,15,17).
What are the key properties of 2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide?
2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide has a molecular weight of 262.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide is sourced from PubChem (CID 49498410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).