N-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-yl-N-prop-2-enylacetamide

C19H21NO3S — CID 94822507

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-yl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)Cc1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H21NO3S/c1-2-11-20(17-10-12-24(22,23)14-17)19(21)13-16-8-5-7-15-6-3-4-9-18(15)16/h2-9,17H,1,10-14H2/t17-/m0/s1
InChIKeyUFJGGAVWNHOYQA-KRWDZBQOSA-N
MW343.45 g/mol
LogP2.58
Rot. Bonds5

About N-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-yl-N-prop-2-enylacetamide

N-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-yl-N-prop-2-enylacetamide (PubChem CID 94822507) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-yl-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-yl-N-prop-2-enylacetamide
PubChem CID94822507
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-yl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)Cc1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H21NO3S/c1-2-11-20(17-10-12-24(22,23)14-17)19(21)13-16-8-5-7-15-6-3-4-9-18(15)16/h2-9,17H,1,10-14H2/t17-/m0/s1
InChIKeyUFJGGAVWNHOYQA-KRWDZBQOSA-N
XLogP2.58
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-yl-N-prop-2-enylacetamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-yl-N-prop-2-enylacetamide (CID 94822507) is N-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-yl-N-prop-2-enylacetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-yl-N-prop-2-enylacetamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-yl-N-prop-2-enylacetamide is C=CCN(C(=O)Cc1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-yl-N-prop-2-enylacetamide?
The InChIKey is UFJGGAVWNHOYQA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-2-11-20(17-10-12-24(22,23)14-17)19(21)13-16-8-5-7-15-6-3-4-9-18(15)16/h2-9,17H,1,10-14H2/t17-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-yl-N-prop-2-enylacetamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-yl-N-prop-2-enylacetamide has a molecular weight of 343.45 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-yl-N-prop-2-enylacetamide is sourced from PubChem (CID 94822507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).