2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propanamide

C17H18ClNO4S — CID 110296620

IUPAC2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propanamide
SMILESO=C(NC1CCS(=O)(=O)C1)C(Cc1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO4S/c18-13-5-3-12(4-6-13)16(10-15-2-1-8-23-15)17(20)19-14-7-9-24(21,22)11-14/h1-6,8,14,16H,7,9-11H2,(H,19,20)
InChIKeyMWEDLYPKBNGHCJ-UHFFFAOYSA-N
MW367.85 g/mol
LogP2.56
Rot. Bonds5

About 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propanamide

2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propanamide (PubChem CID 110296620) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propanamide
PubChem CID110296620
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Name2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propanamide
SMILESO=C(NC1CCS(=O)(=O)C1)C(Cc1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO4S/c18-13-5-3-12(4-6-13)16(10-15-2-1-8-23-15)17(20)19-14-7-9-24(21,22)11-14/h1-6,8,14,16H,7,9-11H2,(H,19,20)
InChIKeyMWEDLYPKBNGHCJ-UHFFFAOYSA-N
XLogP2.56
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(furan-2-yl)propanamide
CID 110296624
2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide
CID 110618053
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl(furan-2-ylmethyl)amino]propanamide
CID 124839669
2-[[(1R)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 51929396
2-(4-chlorophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide
CID 51073679
3-(4-chlorophenyl)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-methylpropanamide
CID 110615275
3-amino-N-(1,1-dioxothiolan-3-yl)-2-phenylpropanamide;hydrochloride
CID 119670194
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133279
(2S)-N-[(4-chlorophenyl)methyl]-2-[(1,1-dioxothiolan-3-yl)carbamoylamino]propanamide
CID 45495943
2-[(1,1-dioxothiolan-3-yl)amino]-N-(furan-2-ylmethyl)acetamide
CID 108996316
6-N-(1,1-dioxothiolan-3-yl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097102
1-(1,1-dioxothiolan-3-yl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111766734

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propanamide (CID 110296620) is 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propanamide is O=C(NC1CCS(=O)(=O)C1)C(Cc1ccco1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propanamide?
The InChIKey is MWEDLYPKBNGHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c18-13-5-3-12(4-6-13)16(10-15-2-1-8-23-15)17(20)19-14-7-9-24(21,22)11-14/h1-6,8,14,16H,7,9-11H2,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propanamide?
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propanamide has a molecular weight of 367.85 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propanamide is sourced from PubChem (CID 110296620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).