N-[2-(4-bromoanilino)-2-oxoethyl]-5-methylsulfonylfuran-2-carboxamide

C14H13BrN2O5S — CID 86944389

IUPACN-[2-(4-bromoanilino)-2-oxoethyl]-5-methylsulfonylfuran-2-carboxamide
SMILESCS(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2)o1
InChIInChI=1S/C14H13BrN2O5S/c1-23(20,21)13-7-6-11(22-13)14(19)16-8-12(18)17-10-4-2-9(15)3-5-10/h2-7H,8H2,1H3,(H,16,19)(H,17,18)
InChIKeySTWPFNWGVCEHKP-UHFFFAOYSA-N
MW401.24 g/mol
LogP1.81
Rot. Bonds5

About N-[2-(4-bromoanilino)-2-oxoethyl]-5-methylsulfonylfuran-2-carboxamide

N-[2-(4-bromoanilino)-2-oxoethyl]-5-methylsulfonylfuran-2-carboxamide (PubChem CID 86944389) has the molecular formula C14H13BrN2O5S and a molecular weight of 401.24 g/mol. Its IUPAC name is N-[2-(4-bromoanilino)-2-oxoethyl]-5-methylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromoanilino)-2-oxoethyl]-5-methylsulfonylfuran-2-carboxamide
PubChem CID86944389
Molecular FormulaC14H13BrN2O5S
Molecular Weight401.24 g/mol
Exact Mass399.97
IUPAC NameN-[2-(4-bromoanilino)-2-oxoethyl]-5-methylsulfonylfuran-2-carboxamide
SMILESCS(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2)o1
InChIInChI=1S/C14H13BrN2O5S/c1-23(20,21)13-7-6-11(22-13)14(19)16-8-12(18)17-10-4-2-9(15)3-5-10/h2-7H,8H2,1H3,(H,16,19)(H,17,18)
InChIKeySTWPFNWGVCEHKP-UHFFFAOYSA-N
XLogP1.81
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.24
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-5-methylsulfonylfuran-2-carboxamide
CID 155412686
5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide
CID 9294205
2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 112996188
N-[2-(4-chloroanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide
CID 47109152
2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide
CID 112996813
N-(ethylaminomethyl)-5-methylsulfonylfuran-2-carboxamide
CID 167081500
2-(4-bromophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 49165568
N-methyl-5-methylsulfonylfuran-2-carboxamide
CID 126970956
N-(2-methylsulfanylethyl)-5-methylsulfonylfuran-2-carboxamide
CID 86944148
N-[2-(4-ethoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide
CID 2991250
N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36899593
N-[2-(4-bromoanilino)-2-oxoethyl]-3-methylthiophene-2-carboxamide
CID 47309174

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-5-methylsulfonylfuran-2-carboxamide?
The IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-5-methylsulfonylfuran-2-carboxamide (CID 86944389) is N-[2-(4-bromoanilino)-2-oxoethyl]-5-methylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-bromoanilino)-2-oxoethyl]-5-methylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-[2-(4-bromoanilino)-2-oxoethyl]-5-methylsulfonylfuran-2-carboxamide is CS(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2)o1.
What is the InChIKey of N-[2-(4-bromoanilino)-2-oxoethyl]-5-methylsulfonylfuran-2-carboxamide?
The InChIKey is STWPFNWGVCEHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O5S/c1-23(20,21)13-7-6-11(22-13)14(19)16-8-12(18)17-10-4-2-9(15)3-5-10/h2-7H,8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(4-bromoanilino)-2-oxoethyl]-5-methylsulfonylfuran-2-carboxamide?
N-[2-(4-bromoanilino)-2-oxoethyl]-5-methylsulfonylfuran-2-carboxamide has a molecular weight of 401.24 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromoanilino)-2-oxoethyl]-5-methylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 86944389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).