N-[2-[(5-ethyl-3H-inden-1-yl)sulfanyl]ethyl]acetamide

C15H19NOS — CID 70563081

IUPACN-[2-[(5-ethyl-3H-inden-1-yl)sulfanyl]ethyl]acetamide
SMILESCCc1ccc2c(c1)CC=C2SCCNC(C)=O
InChIInChI=1S/C15H19NOS/c1-3-12-4-6-14-13(10-12)5-7-15(14)18-9-8-16-11(2)17/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,16,17)
InChIKeyBDMCABGIUUTYRC-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.02
Rot. Bonds5

About N-[2-[(5-ethyl-3H-inden-1-yl)sulfanyl]ethyl]acetamide

N-[2-[(5-ethyl-3H-inden-1-yl)sulfanyl]ethyl]acetamide (PubChem CID 70563081) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[2-[(5-ethyl-3H-inden-1-yl)sulfanyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-ethyl-3H-inden-1-yl)sulfanyl]ethyl]acetamide
PubChem CID70563081
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-[2-[(5-ethyl-3H-inden-1-yl)sulfanyl]ethyl]acetamide
SMILESCCc1ccc2c(c1)CC=C2SCCNC(C)=O
InChIInChI=1S/C15H19NOS/c1-3-12-4-6-14-13(10-12)5-7-15(14)18-9-8-16-11(2)17/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,16,17)
InChIKeyBDMCABGIUUTYRC-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-ethyl-3H-inden-1-yl)sulfanyl]ethyl]acetamide?
The IUPAC name of N-[2-[(5-ethyl-3H-inden-1-yl)sulfanyl]ethyl]acetamide (CID 70563081) is N-[2-[(5-ethyl-3H-inden-1-yl)sulfanyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(5-ethyl-3H-inden-1-yl)sulfanyl]ethyl]acetamide?
The canonical SMILES for N-[2-[(5-ethyl-3H-inden-1-yl)sulfanyl]ethyl]acetamide is CCc1ccc2c(c1)CC=C2SCCNC(C)=O.
What is the InChIKey of N-[2-[(5-ethyl-3H-inden-1-yl)sulfanyl]ethyl]acetamide?
The InChIKey is BDMCABGIUUTYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-3-12-4-6-14-13(10-12)5-7-15(14)18-9-8-16-11(2)17/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-[2-[(5-ethyl-3H-inden-1-yl)sulfanyl]ethyl]acetamide?
N-[2-[(5-ethyl-3H-inden-1-yl)sulfanyl]ethyl]acetamide has a molecular weight of 261.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-ethyl-3H-inden-1-yl)sulfanyl]ethyl]acetamide is sourced from PubChem (CID 70563081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).