N-cyclopentyl-2-(1-propylindol-3-yl)sulfanylacetamide

C18H24N2OS — CID 4185634

IUPACN-cyclopentyl-2-(1-propylindol-3-yl)sulfanylacetamide
SMILESCCCn1cc(SCC(=O)NC2CCCC2)c2ccccc21
InChIInChI=1S/C18H24N2OS/c1-2-11-20-12-17(15-9-5-6-10-16(15)20)22-13-18(21)19-14-7-3-4-8-14/h5-6,9-10,12,14H,2-4,7-8,11,13H2,1H3,(H,19,21)
InChIKeyFIUWKRCRVKMZHA-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.20
Rot. Bonds6

About N-cyclopentyl-2-(1-propylindol-3-yl)sulfanylacetamide

N-cyclopentyl-2-(1-propylindol-3-yl)sulfanylacetamide (PubChem CID 4185634) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is N-cyclopentyl-2-(1-propylindol-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(1-propylindol-3-yl)sulfanylacetamide
PubChem CID4185634
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC NameN-cyclopentyl-2-(1-propylindol-3-yl)sulfanylacetamide
SMILESCCCn1cc(SCC(=O)NC2CCCC2)c2ccccc21
InChIInChI=1S/C18H24N2OS/c1-2-11-20-12-17(15-9-5-6-10-16(15)20)22-13-18(21)19-14-7-3-4-8-14/h5-6,9-10,12,14H,2-4,7-8,11,13H2,1H3,(H,19,21)
InChIKeyFIUWKRCRVKMZHA-UHFFFAOYSA-N
XLogP4.20
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(1-propylindol-3-yl)sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-(1-propylindol-3-yl)sulfanylacetamide (CID 4185634) is N-cyclopentyl-2-(1-propylindol-3-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(1-propylindol-3-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-(1-propylindol-3-yl)sulfanylacetamide is CCCn1cc(SCC(=O)NC2CCCC2)c2ccccc21.
What is the InChIKey of N-cyclopentyl-2-(1-propylindol-3-yl)sulfanylacetamide?
The InChIKey is FIUWKRCRVKMZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-2-11-20-12-17(15-9-5-6-10-16(15)20)22-13-18(21)19-14-7-3-4-8-14/h5-6,9-10,12,14H,2-4,7-8,11,13H2,1H3,(H,19,21).
What are the key properties of N-cyclopentyl-2-(1-propylindol-3-yl)sulfanylacetamide?
N-cyclopentyl-2-(1-propylindol-3-yl)sulfanylacetamide has a molecular weight of 316.47 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(1-propylindol-3-yl)sulfanylacetamide is sourced from PubChem (CID 4185634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).