N-(2-benzylsulfanylethyl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide

C20H23NOS — CID 32965914

IUPACN-(2-benzylsulfanylethyl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCC2)NCCSCc1ccccc1
InChIInChI=1S/C20H23NOS/c22-20(14-17-9-10-18-7-4-8-19(18)13-17)21-11-12-23-15-16-5-2-1-3-6-16/h1-3,5-6,9-10,13H,4,7-8,11-12,14-15H2,(H,21,22)
InChIKeyJWMVQNMGQBYVMB-UHFFFAOYSA-N
MW325.48 g/mol
LogP3.77
Rot. Bonds7

About N-(2-benzylsulfanylethyl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide

N-(2-benzylsulfanylethyl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide (PubChem CID 32965914) has the molecular formula C20H23NOS and a molecular weight of 325.48 g/mol. Its IUPAC name is N-(2-benzylsulfanylethyl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzylsulfanylethyl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide
PubChem CID32965914
Molecular FormulaC20H23NOS
Molecular Weight325.48 g/mol
Exact Mass325.15
IUPAC NameN-(2-benzylsulfanylethyl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCC2)NCCSCc1ccccc1
InChIInChI=1S/C20H23NOS/c22-20(14-17-9-10-18-7-4-8-19(18)13-17)21-11-12-23-15-16-5-2-1-3-6-16/h1-3,5-6,9-10,13H,4,7-8,11-12,14-15H2,(H,21,22)
InChIKeyJWMVQNMGQBYVMB-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 53.77
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-benzylsulfanylethyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 31334457
N-(2-benzylsulfanylethyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 100765199
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 55447489
N-(2,3-dihydro-1H-inden-5-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 18135257
2-[2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]ethoxy]acetic acid
CID 79469532
2-(2,3-dihydro-1H-inden-5-yl)-N-prop-2-enylacetamide
CID 60645760
N-(2-benzylsulfanylethyl)-2-(2-nitrophenyl)acetamide
CID 4016425
N-[2-(ethylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119508424
N-[2-(2-nitroanilino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 9278484
N-(3-benzylsulfanylpropyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 74239482
(2S)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100576109
N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9482902

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylethyl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide?
The IUPAC name of N-(2-benzylsulfanylethyl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide (CID 32965914) is N-(2-benzylsulfanylethyl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide.
What is the SMILES notation for N-(2-benzylsulfanylethyl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide?
The canonical SMILES for N-(2-benzylsulfanylethyl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide is O=C(Cc1ccc2c(c1)CCC2)NCCSCc1ccccc1.
What is the InChIKey of N-(2-benzylsulfanylethyl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide?
The InChIKey is JWMVQNMGQBYVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NOS/c22-20(14-17-9-10-18-7-4-8-19(18)13-17)21-11-12-23-15-16-5-2-1-3-6-16/h1-3,5-6,9-10,13H,4,7-8,11-12,14-15H2,(H,21,22).
What are the key properties of N-(2-benzylsulfanylethyl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide?
N-(2-benzylsulfanylethyl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide has a molecular weight of 325.48 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylethyl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide is sourced from PubChem (CID 32965914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).