N-(2-anilino-2-oxoethyl)-5-bromo-N-(furan-2-ylmethyl)thiophene-2-carboxamide

C18H15BrN2O3S — CID 18098352

IUPACN-(2-anilino-2-oxoethyl)-5-bromo-N-(furan-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(CN(Cc1ccco1)C(=O)c1ccc(Br)s1)Nc1ccccc1
InChIInChI=1S/C18H15BrN2O3S/c19-16-9-8-15(25-16)18(23)21(11-14-7-4-10-24-14)12-17(22)20-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,20,22)
InChIKeyAFCNGIRNDURWQE-UHFFFAOYSA-N
MW419.30 g/mol
LogP4.38
Rot. Bonds6

About N-(2-anilino-2-oxoethyl)-5-bromo-N-(furan-2-ylmethyl)thiophene-2-carboxamide

N-(2-anilino-2-oxoethyl)-5-bromo-N-(furan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 18098352) has the molecular formula C18H15BrN2O3S and a molecular weight of 419.30 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-5-bromo-N-(furan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-5-bromo-N-(furan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID18098352
Molecular FormulaC18H15BrN2O3S
Molecular Weight419.30 g/mol
Exact Mass418.00
IUPAC NameN-(2-anilino-2-oxoethyl)-5-bromo-N-(furan-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(CN(Cc1ccco1)C(=O)c1ccc(Br)s1)Nc1ccccc1
InChIInChI=1S/C18H15BrN2O3S/c19-16-9-8-15(25-16)18(23)21(11-14-7-4-10-24-14)12-17(22)20-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,20,22)
InChIKeyAFCNGIRNDURWQE-UHFFFAOYSA-N
XLogP4.38
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.30
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-anilino-2-oxoethyl)-5-bromo-N-(furan-2-ylmethyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-4-phenylbenzamide
CID 18291878
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 18098359
2-[[2-(4-bromophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide
CID 26999891
N-(2-anilino-2-oxoethyl)-2-tert-butyl-N-(furan-2-ylmethyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46517958
N-(2-anilino-2-oxoethyl)-2,2-dichloro-N-(furan-2-ylmethyl)-1-methylcyclopropane-1-carboxamide
CID 42920707
(E)-N-(2-anilino-2-oxoethyl)-3-(5-bromo-2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 24518032
(E)-N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 46638145
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18098369
2-[[2-(4-acetamidophenyl)sulfanylacetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide
CID 24518090
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 43034035
2-[acetyl(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide
CID 113161076
N-[2-(2-bromoanilino)-2-oxoethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 4779798

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-5-bromo-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-5-bromo-N-(furan-2-ylmethyl)thiophene-2-carboxamide (CID 18098352) is N-(2-anilino-2-oxoethyl)-5-bromo-N-(furan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-5-bromo-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-5-bromo-N-(furan-2-ylmethyl)thiophene-2-carboxamide is O=C(CN(Cc1ccco1)C(=O)c1ccc(Br)s1)Nc1ccccc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-5-bromo-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is AFCNGIRNDURWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3S/c19-16-9-8-15(25-16)18(23)21(11-14-7-4-10-24-14)12-17(22)20-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,20,22).
What are the key properties of N-(2-anilino-2-oxoethyl)-5-bromo-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
N-(2-anilino-2-oxoethyl)-5-bromo-N-(furan-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 419.30 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-5-bromo-N-(furan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 18098352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).