2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide

C19H24N2O4S — CID 18142864

IUPAC2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(Cc1ccco1)C1CCS(=O)(=O)C1)c1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-15(16-6-3-2-4-7-16)20-19(22)13-21(12-18-8-5-10-25-18)17-9-11-26(23,24)14-17/h2-8,10,15,17H,9,11-14H2,1H3,(H,20,22)
InChIKeyHHVARVYPQIXQLP-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.15
Rot. Bonds7

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

2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide (PubChem CID 18142864) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
PubChem CID18142864
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(Cc1ccco1)C1CCS(=O)(=O)C1)c1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-15(16-6-3-2-4-7-16)20-19(22)13-21(12-18-8-5-10-25-18)17-9-11-26(23,24)14-17/h2-8,10,15,17H,9,11-14H2,1H3,(H,20,22)
InChIKeyHHVARVYPQIXQLP-UHFFFAOYSA-N
XLogP2.15
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(2-phenylpropyl)acetamide
CID 18142870
2-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-N-(methylcarbamoyl)acetamide
CID 94016788
N-cyclopentyl-2-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]acetamide
CID 38370943
2-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide
CID 25479249
2-[acetyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 113160988
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 7546676
2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(4-methyl-2-nitrophenyl)acetamide
CID 42921555
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 3759925
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 78822968
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[(2R)-1-(furan-2-yl)propan-2-yl]-1-methylurea
CID 95134554
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]acetamide
CID 18144877
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)formamide
CID 99976891

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide (CID 18142864) is 2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide is CC(NC(=O)CN(Cc1ccco1)C1CCS(=O)(=O)C1)c1ccccc1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide?
The InChIKey is HHVARVYPQIXQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-15(16-6-3-2-4-7-16)20-19(22)13-21(12-18-8-5-10-25-18)17-9-11-26(23,24)14-17/h2-8,10,15,17H,9,11-14H2,1H3,(H,20,22).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide?
2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide has a molecular weight of 376.48 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 18142864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).