N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide

C14H14F2N2O4S — CID 113071817

IUPACN-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide
SMILESCS(=O)(=O)N(CCNC(=O)c1ccco1)c1ccc(F)cc1F
InChIInChI=1S/C14H14F2N2O4S/c1-23(20,21)18(12-5-4-10(15)9-11(12)16)7-6-17-14(19)13-3-2-8-22-13/h2-5,8-9H,6-7H2,1H3,(H,17,19)
InChIKeyMIGZAUNJUJKEQK-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.75
Rot. Bonds6

About N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide

N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide (PubChem CID 113071817) has the molecular formula C14H14F2N2O4S and a molecular weight of 344.34 g/mol. Its IUPAC name is N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide
PubChem CID113071817
Molecular FormulaC14H14F2N2O4S
Molecular Weight344.34 g/mol
Exact Mass344.06
IUPAC NameN-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide
SMILESCS(=O)(=O)N(CCNC(=O)c1ccco1)c1ccc(F)cc1F
InChIInChI=1S/C14H14F2N2O4S/c1-23(20,21)18(12-5-4-10(15)9-11(12)16)7-6-17-14(19)13-3-2-8-22-13/h2-5,8-9H,6-7H2,1H3,(H,17,19)
InChIKeyMIGZAUNJUJKEQK-UHFFFAOYSA-N
XLogP1.75
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide
CID 113072410
N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide
CID 113071824
N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide
CID 113071927
N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113071835
N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113072438
N-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide
CID 31820162
3-(2,4-difluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 113146355
N-butyl-3-(2,4-difluoro-N-methylsulfonylanilino)propanamide
CID 113146327
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113069673
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069197
N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113068872
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]furan-2-carboxamide
CID 113066628

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide (CID 113071817) is N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide is CS(=O)(=O)N(CCNC(=O)c1ccco1)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide?
The InChIKey is MIGZAUNJUJKEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O4S/c1-23(20,21)18(12-5-4-10(15)9-11(12)16)7-6-17-14(19)13-3-2-8-22-13/h2-5,8-9H,6-7H2,1H3,(H,17,19).
What are the key properties of N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide?
N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide has a molecular weight of 344.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 113071817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).