5-(2,6-dichlorophenyl)-N-(2-oxo-2-thiophen-2-ylethyl)furan-2-carboxamide

C17H11Cl2NO3S — CID 9150422

IUPAC5-(2,6-dichlorophenyl)-N-(2-oxo-2-thiophen-2-ylethyl)furan-2-carboxamide
SMILESO=C(NCC(=O)c1cccs1)c1ccc(-c2c(Cl)cccc2Cl)o1
InChIInChI=1S/C17H11Cl2NO3S/c18-10-3-1-4-11(19)16(10)13-6-7-14(23-13)17(22)20-9-12(21)15-5-2-8-24-15/h1-8H,9H2,(H,20,22)
InChIKeyUDQOKPFQAGJHEG-UHFFFAOYSA-N
MW380.25 g/mol
LogP4.93
Rot. Bonds5

About 5-(2,6-dichlorophenyl)-N-(2-oxo-2-thiophen-2-ylethyl)furan-2-carboxamide

5-(2,6-dichlorophenyl)-N-(2-oxo-2-thiophen-2-ylethyl)furan-2-carboxamide (PubChem CID 9150422) has the molecular formula C17H11Cl2NO3S and a molecular weight of 380.25 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)-N-(2-oxo-2-thiophen-2-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)-N-(2-oxo-2-thiophen-2-ylethyl)furan-2-carboxamide
PubChem CID9150422
Molecular FormulaC17H11Cl2NO3S
Molecular Weight380.25 g/mol
Exact Mass378.98
IUPAC Name5-(2,6-dichlorophenyl)-N-(2-oxo-2-thiophen-2-ylethyl)furan-2-carboxamide
SMILESO=C(NCC(=O)c1cccs1)c1ccc(-c2c(Cl)cccc2Cl)o1
InChIInChI=1S/C17H11Cl2NO3S/c18-10-3-1-4-11(19)16(10)13-6-7-14(23-13)17(22)20-9-12(21)15-5-2-8-24-15/h1-8H,9H2,(H,20,22)
InChIKeyUDQOKPFQAGJHEG-UHFFFAOYSA-N
XLogP4.93
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.25
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-fluoro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
CID 75357568
4-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
CID 13105423
5-(2-chlorophenyl)-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide
CID 9085411
5-chloro-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 58248868
5-(2,6-dichlorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 17015033
N-[2-(2,6-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 110698088
3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
CID 82121213
3-bromo-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 58248872
N-[2-(2,3-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 46756487
5-(2-chlorophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 78800704
4-[[5-(2,6-dichlorophenyl)furan-2-carbonyl]amino]benzoate
CID 9150445
2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzenesulfonamide
CID 75508948

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenyl)-N-(2-oxo-2-thiophen-2-ylethyl)furan-2-carboxamide?
The IUPAC name of 5-(2,6-dichlorophenyl)-N-(2-oxo-2-thiophen-2-ylethyl)furan-2-carboxamide (CID 9150422) is 5-(2,6-dichlorophenyl)-N-(2-oxo-2-thiophen-2-ylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(2,6-dichlorophenyl)-N-(2-oxo-2-thiophen-2-ylethyl)furan-2-carboxamide?
The canonical SMILES for 5-(2,6-dichlorophenyl)-N-(2-oxo-2-thiophen-2-ylethyl)furan-2-carboxamide is O=C(NCC(=O)c1cccs1)c1ccc(-c2c(Cl)cccc2Cl)o1.
What is the InChIKey of 5-(2,6-dichlorophenyl)-N-(2-oxo-2-thiophen-2-ylethyl)furan-2-carboxamide?
The InChIKey is UDQOKPFQAGJHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO3S/c18-10-3-1-4-11(19)16(10)13-6-7-14(23-13)17(22)20-9-12(21)15-5-2-8-24-15/h1-8H,9H2,(H,20,22).
What are the key properties of 5-(2,6-dichlorophenyl)-N-(2-oxo-2-thiophen-2-ylethyl)furan-2-carboxamide?
5-(2,6-dichlorophenyl)-N-(2-oxo-2-thiophen-2-ylethyl)furan-2-carboxamide has a molecular weight of 380.25 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenyl)-N-(2-oxo-2-thiophen-2-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 9150422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).