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

C20H26N2O4S — CID 18142870

IUPAC2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)CN(Cc1ccco1)C1CCS(=O)(=O)C1)c1ccccc1
InChIInChI=1S/C20H26N2O4S/c1-16(17-6-3-2-4-7-17)12-21-20(23)14-22(13-19-8-5-10-26-19)18-9-11-27(24,25)15-18/h2-8,10,16,18H,9,11-15H2,1H3,(H,21,23)
InChIKeyMPHYGAWMEHWEDP-UHFFFAOYSA-N
MW390.50 g/mol
LogP2.19
Rot. Bonds8

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

2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(2-phenylpropyl)acetamide (PubChem CID 18142870) has the molecular formula C20H26N2O4S and a molecular weight of 390.50 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(2-phenylpropyl)acetamide
PubChem CID18142870
Molecular FormulaC20H26N2O4S
Molecular Weight390.50 g/mol
Exact Mass390.16
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)CN(Cc1ccco1)C1CCS(=O)(=O)C1)c1ccccc1
InChIInChI=1S/C20H26N2O4S/c1-16(17-6-3-2-4-7-17)12-21-20(23)14-22(13-19-8-5-10-26-19)18-9-11-27(24,25)15-18/h2-8,10,16,18H,9,11-15H2,1H3,(H,21,23)
InChIKeyMPHYGAWMEHWEDP-UHFFFAOYSA-N
XLogP2.19
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 52.19
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-(1-phenylethyl)acetamide
CID 18142864
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
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 7546676
2-[cyclopropyl-[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid
CID 60833703
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-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide
CID 60551924
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)formamide
CID 99976891
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide
CID 27128038
3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 8019928

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(2-phenylpropyl)acetamide (CID 18142870) is 2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(2-phenylpropyl)acetamide is CC(CNC(=O)CN(Cc1ccco1)C1CCS(=O)(=O)C1)c1ccccc1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(2-phenylpropyl)acetamide?
The InChIKey is MPHYGAWMEHWEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-16(17-6-3-2-4-7-17)12-21-20(23)14-22(13-19-8-5-10-26-19)18-9-11-27(24,25)15-18/h2-8,10,16,18H,9,11-15H2,1H3,(H,21,23).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(2-phenylpropyl)acetamide?
2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(2-phenylpropyl)acetamide has a molecular weight of 390.50 g/mol, XLogP of 2.19, 8 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-(2-phenylpropyl)acetamide is sourced from PubChem (CID 18142870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).