N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indene-5-carboxamide

C18H19NOS — CID 9482902

IUPACN-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(NCCSc1ccccc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H19NOS/c20-18(16-10-9-14-5-4-6-15(14)13-16)19-11-12-21-17-7-2-1-3-8-17/h1-3,7-10,13H,4-6,11-12H2,(H,19,20)
InChIKeyQPGPJBXQHFRHFC-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.70
Rot. Bonds5

About N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indene-5-carboxamide

N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 9482902) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID9482902
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC NameN-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(NCCSc1ccccc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H19NOS/c20-18(16-10-9-14-5-4-6-15(14)13-16)19-11-12-21-17-7-2-1-3-8-17/h1-3,7-10,13H,4-6,11-12H2,(H,19,20)
InChIKeyQPGPJBXQHFRHFC-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.70
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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Related Compounds

N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 60976962
N'-(2,3-dihydro-1H-inden-5-yl)-N-(2-phenylsulfanylethyl)oxamide
CID 86996263
3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid
CID 18071901
1-methylsulfonyl-N-(2-phenylsulfanylethyl)-2,3-dihydroindole-5-carboxamide
CID 26444808
N-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide
CID 26352441
N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9100118
N-(2-cyclopentylsulfanylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706753
2-phenylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82050707
N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 55024103
N-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 119382194
(2S)-2-methyl-1-methylsulfonyl-N-(2-phenylsulfanylethyl)-2,3-dihydroindole-5-carboxamide
CID 9483091
N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95903042

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indene-5-carboxamide (CID 9482902) is N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indene-5-carboxamide is O=C(NCCSc1ccccc1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is QPGPJBXQHFRHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c20-18(16-10-9-14-5-4-6-15(14)13-16)19-11-12-21-17-7-2-1-3-8-17/h1-3,7-10,13H,4-6,11-12H2,(H,19,20).
What are the key properties of N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indene-5-carboxamide?
N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 9482902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).