2-anilino-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethylacetamide

C16H23N3O4S — CID 119681738

IUPAC2-anilino-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethylacetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)CNc1ccccc1
InChIInChI=1S/C16H23N3O4S/c1-2-19(16(21)10-17-13-6-4-3-5-7-13)11-15(20)18-14-8-9-24(22,23)12-14/h3-7,14,17H,2,8-12H2,1H3,(H,18,20)
InChIKeyLHOSEFCQPNSNLQ-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.25
Rot. Bonds7

About 2-anilino-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethylacetamide

2-anilino-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethylacetamide (PubChem CID 119681738) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 2-anilino-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-anilino-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethylacetamide
PubChem CID119681738
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name2-anilino-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethylacetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)CNc1ccccc1
InChIInChI=1S/C16H23N3O4S/c1-2-19(16(21)10-17-13-6-4-3-5-7-13)11-15(20)18-14-8-9-24(22,23)12-14/h3-7,14,17H,2,8-12H2,1H3,(H,18,20)
InChIKeyLHOSEFCQPNSNLQ-UHFFFAOYSA-N
XLogP0.25
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dibenzylamino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51140167
2-(3,4-dichlorophenyl)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-N-ethylacetamide
CID 9094568
2-(3,4-dichlorophenyl)-N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-N-ethylacetamide
CID 9094565
4-bromo-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethylbenzamide
CID 42909124
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
2-[[2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-ethylamino]acetyl]amino]-N-phenylbenzamide
CID 4968783
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
2-anilino-N,N-diethylacetamide;hydrochloride
CID 119671427
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
CID 124835337
N-(1,1-dioxothiolan-3-yl)-2-[methyl-[2-oxo-2-(3-phenoxyanilino)ethyl]amino]acetamide
CID 55849999
N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-N-ethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 41093657

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethylacetamide?
The IUPAC name of 2-anilino-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethylacetamide (CID 119681738) is 2-anilino-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethylacetamide.
What is the SMILES notation for 2-anilino-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethylacetamide?
The canonical SMILES for 2-anilino-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethylacetamide is CCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)CNc1ccccc1.
What is the InChIKey of 2-anilino-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethylacetamide?
The InChIKey is LHOSEFCQPNSNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-2-19(16(21)10-17-13-6-4-3-5-7-13)11-15(20)18-14-8-9-24(22,23)12-14/h3-7,14,17H,2,8-12H2,1H3,(H,18,20).
What are the key properties of 2-anilino-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethylacetamide?
2-anilino-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethylacetamide has a molecular weight of 353.44 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethylacetamide is sourced from PubChem (CID 119681738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).