N-(1,1-dioxothiolan-3-yl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide

C17H24N2O3S — CID 51097266

IUPACN-(1,1-dioxothiolan-3-yl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CCc1ccccc1)CC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C17H24N2O3S/c1-2-10-19(11-8-15-6-4-3-5-7-15)13-17(20)18-16-9-12-23(21,22)14-16/h2-7,16H,1,8-14H2,(H,18,20)
InChIKeyQHDLZVSCENEBGZ-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.02
Rot. Bonds8

About N-(1,1-dioxothiolan-3-yl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide

N-(1,1-dioxothiolan-3-yl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide (PubChem CID 51097266) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide
PubChem CID51097266
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CCc1ccccc1)CC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C17H24N2O3S/c1-2-10-19(11-8-15-6-4-3-5-7-15)13-17(20)18-16-9-12-23(21,22)14-16/h2-7,16H,1,8-14H2,(H,18,20)
InChIKeyQHDLZVSCENEBGZ-UHFFFAOYSA-N
XLogP1.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(dibenzylamino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51140167
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
3-[acetyl(benzyl)amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113118228
2-benzylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4026635
2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51170978
2-[benzhydryl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 27071721
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(3-methylphenyl)methyl]amino]acetamide
CID 26512857
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
CID 124835337
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-phenylmethoxyacetyl)amino]acetamide
CID 94811329
2-[(3,4-dimethylphenyl)sulfonyl-prop-2-enylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 42902865
2-(N-benzyl-4-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18144578
N'-(1,1-dioxothiolan-3-yl)-2-phenylacetohydrazide
CID 3805798

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide (CID 51097266) is N-(1,1-dioxothiolan-3-yl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide is C=CCN(CCc1ccccc1)CC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide?
The InChIKey is QHDLZVSCENEBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-2-10-19(11-8-15-6-4-3-5-7-15)13-17(20)18-16-9-12-23(21,22)14-16/h2-7,16H,1,8-14H2,(H,18,20).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide has a molecular weight of 336.46 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide is sourced from PubChem (CID 51097266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).