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

C19H22ClNO4S — CID 110296624

IUPAC2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(furan-2-yl)propanamide
SMILESCCN(C(=O)C(Cc1ccco1)c1ccc(Cl)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H22ClNO4S/c1-2-21(16-9-11-26(23,24)13-16)19(22)18(12-17-4-3-10-25-17)14-5-7-15(20)8-6-14/h3-8,10,16,18H,2,9,11-13H2,1H3
InChIKeyGPIUXAWSSJXDGY-UHFFFAOYSA-N
MW395.91 g/mol
LogP3.29
Rot. Bonds6

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

2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(furan-2-yl)propanamide (PubChem CID 110296624) has the molecular formula C19H22ClNO4S and a molecular weight of 395.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(furan-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(furan-2-yl)propanamide
PubChem CID110296624
Molecular FormulaC19H22ClNO4S
Molecular Weight395.91 g/mol
Exact Mass395.10
IUPAC Name2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(furan-2-yl)propanamide
SMILESCCN(C(=O)C(Cc1ccco1)c1ccc(Cl)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H22ClNO4S/c1-2-21(16-9-11-26(23,24)13-16)19(22)18(12-17-4-3-10-25-17)14-5-7-15(20)8-6-14/h3-8,10,16,18H,2,9,11-13H2,1H3
InChIKeyGPIUXAWSSJXDGY-UHFFFAOYSA-N
XLogP3.29
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propanamide
CID 110296620
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-thiophen-2-ylpropanamide
CID 110296645
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 3759925
3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 3433782
3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 8019928
2,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 35122106
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)cyclohexanecarboxamide
CID 102565822
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[(2R)-1-(furan-2-yl)propan-2-yl]-1-methylurea
CID 95134554
N-[2-(4-chlorophenyl)ethyl]-N'-(1,1-dioxothiolan-3-yl)-N'-ethylpropanediamide
CID 108949775
2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)propanamide
CID 3361080
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 7546676
4-(4-chloro-2-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)butanamide
CID 2471363

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(furan-2-yl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(furan-2-yl)propanamide (CID 110296624) is 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(furan-2-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(furan-2-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(furan-2-yl)propanamide is CCN(C(=O)C(Cc1ccco1)c1ccc(Cl)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(furan-2-yl)propanamide?
The InChIKey is GPIUXAWSSJXDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4S/c1-2-21(16-9-11-26(23,24)13-16)19(22)18(12-17-4-3-10-25-17)14-5-7-15(20)8-6-14/h3-8,10,16,18H,2,9,11-13H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(furan-2-yl)propanamide?
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(furan-2-yl)propanamide has a molecular weight of 395.91 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 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)-N-ethyl-3-(furan-2-yl)propanamide is sourced from PubChem (CID 110296624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).