5-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]furan-2-carboxamide

C16H16ClNO4S — CID 70748000

IUPAC5-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]furan-2-carboxamide
SMILESO=C(NCC1CCS(=O)(=O)C1)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C16H16ClNO4S/c17-13-4-2-1-3-12(13)14-5-6-15(22-14)16(19)18-9-11-7-8-23(20,21)10-11/h1-6,11H,7-10H2,(H,18,19)
InChIKeyXZTVENXGDRALML-UHFFFAOYSA-N
MW353.83 g/mol
LogP2.76
Rot. Bonds4

About 5-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]furan-2-carboxamide

5-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]furan-2-carboxamide (PubChem CID 70748000) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]furan-2-carboxamide
PubChem CID70748000
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC Name5-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]furan-2-carboxamide
SMILESO=C(NCC1CCS(=O)(=O)C1)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C16H16ClNO4S/c17-13-4-2-1-3-12(13)14-5-6-15(22-14)16(19)18-9-11-7-8-23(20,21)10-11/h1-6,11H,7-10H2,(H,18,19)
InChIKeyXZTVENXGDRALML-UHFFFAOYSA-N
XLogP2.76
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chlorophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 78800704
N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide
CID 8940082
2-amino-6-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 63659868
5-(2-chlorophenyl)-N-propylfuran-2-carboxamide
CID 5262410
N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylbenzamide
CID 77085411
5-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide
CID 78824940
5-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide
CID 51183619
[5-(2-chlorophenyl)furan-2-yl]-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone
CID 8530152
5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 9083579
3-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 47156867
5-(2-chlorophenyl)-N-[2-(methylamino)propyl]furan-2-carboxamide;hydrochloride
CID 120827077
2-[4-(aminomethyl)phenyl]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 63590687

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]furan-2-carboxamide (CID 70748000) is 5-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]furan-2-carboxamide is O=C(NCC1CCS(=O)(=O)C1)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]furan-2-carboxamide?
The InChIKey is XZTVENXGDRALML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c17-13-4-2-1-3-12(13)14-5-6-15(22-14)16(19)18-9-11-7-8-23(20,21)10-11/h1-6,11H,7-10H2,(H,18,19).
What are the key properties of 5-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]furan-2-carboxamide?
5-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]furan-2-carboxamide has a molecular weight of 353.83 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 70748000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).