2-naphthalen-2-ylsulfanyl-N,N-bis(prop-2-enyl)acetamide

C18H19NOS — CID 2347935

IUPAC2-naphthalen-2-ylsulfanyl-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C18H19NOS/c1-3-11-19(12-4-2)18(20)14-21-17-10-9-15-7-5-6-8-16(15)13-17/h3-10,13H,1-2,11-12,14H2
InChIKeyNQEICRACVPRCGX-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.13
Rot. Bonds7

About 2-naphthalen-2-ylsulfanyl-N,N-bis(prop-2-enyl)acetamide

2-naphthalen-2-ylsulfanyl-N,N-bis(prop-2-enyl)acetamide (PubChem CID 2347935) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfanyl-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfanyl-N,N-bis(prop-2-enyl)acetamide
PubChem CID2347935
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name2-naphthalen-2-ylsulfanyl-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C18H19NOS/c1-3-11-19(12-4-2)18(20)14-21-17-10-9-15-7-5-6-8-16(15)13-17/h3-10,13H,1-2,11-12,14H2
InChIKeyNQEICRACVPRCGX-UHFFFAOYSA-N
XLogP4.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-2-ylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 2335224
1-(Azepan-1-yl)-2-(naphthalen-2-ylsulfonyl)ethanone
CID 851309
N-ethyl-3-(2-naphthylsulfonyl)propanamide
CID 1819930
1-Morpholino-2-(naphthalen-2-ylthio)ethanone
CID 2200849
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-naphthalen-2-ylsulfanylacetamide
CID 15945229
2-[Carboxymethyl(2-naphthalen-2-ylsulfanylethyl)amino]acetic acid
CID 12816429
2-Bromo-1-[4-(3-naphthalen-2-ylsulfanylpropanoyl)piperazin-1-yl]prop-2-en-1-one
CID 155510434
1-(2-Methylpiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone
CID 3645022
Acetamide, 2-(2-naphthalenylthio)-
CID 2203047
N-methyl-N-(1-methylpiperidin-4-yl)-2-naphthalen-2-ylsulfanylacetamide
CID 5201760
1-(2-Naphthalen-2-ylsulfanylacetyl)piperidine-4-carboxamide
CID 2348586
N-ethyl-2-naphthalen-2-ylsulfanylacetamide
CID 2500692

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfanyl-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-naphthalen-2-ylsulfanyl-N,N-bis(prop-2-enyl)acetamide (CID 2347935) is 2-naphthalen-2-ylsulfanyl-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-naphthalen-2-ylsulfanyl-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-naphthalen-2-ylsulfanyl-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CSc1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-ylsulfanyl-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is NQEICRACVPRCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-3-11-19(12-4-2)18(20)14-21-17-10-9-15-7-5-6-8-16(15)13-17/h3-10,13H,1-2,11-12,14H2.
What are the key properties of 2-naphthalen-2-ylsulfanyl-N,N-bis(prop-2-enyl)acetamide?
2-naphthalen-2-ylsulfanyl-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 297.42 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylsulfanyl-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 2347935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).