5-bromo-N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide

C13H13BrN2O3S — CID 1222183

IUPAC5-bromo-N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2ccc(Br)o2)c1C(N)=O
InChIInChI=1S/C13H13BrN2O3S/c1-3-7-6(2)20-13(10(7)11(15)17)16-12(18)8-4-5-9(14)19-8/h4-5H,3H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyALURRQVZMRUHGX-UHFFFAOYSA-N
MW357.23 g/mol
LogP3.33
Rot. Bonds4

About 5-bromo-N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide

5-bromo-N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide (PubChem CID 1222183) has the molecular formula C13H13BrN2O3S and a molecular weight of 357.23 g/mol. Its IUPAC name is 5-bromo-N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide
PubChem CID1222183
Molecular FormulaC13H13BrN2O3S
Molecular Weight357.23 g/mol
Exact Mass355.98
IUPAC Name5-bromo-N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2ccc(Br)o2)c1C(N)=O
InChIInChI=1S/C13H13BrN2O3S/c1-3-7-6(2)20-13(10(7)11(15)17)16-12(18)8-4-5-9(14)19-8/h4-5H,3H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyALURRQVZMRUHGX-UHFFFAOYSA-N
XLogP3.33
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide
CID 3575474
4-O-ethyl 2-O-methyl 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1280314
4-ethyl-2-[(4-fluorobenzoyl)amino]-5-methylthiophene-3-carboxamide
CID 771120
4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 725819
2-[(2,5-difluorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 4766562
N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-1,3-benzodioxole-5-carboxamide
CID 673535
2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 2930937
4-ethyl-5-methyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide
CID 17168908
N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17174214
4-ethyl-2-[[4-(2-methoxyethoxy)benzoyl]amino]-5-methylthiophene-3-carboxamide
CID 17168933
2-[(5-bromo-2-propoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 17168930
2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 17168938

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide (CID 1222183) is 5-bromo-N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide is CCc1c(C)sc(NC(=O)c2ccc(Br)o2)c1C(N)=O.
What is the InChIKey of 5-bromo-N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide?
The InChIKey is ALURRQVZMRUHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S/c1-3-7-6(2)20-13(10(7)11(15)17)16-12(18)8-4-5-9(14)19-8/h4-5H,3H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 5-bromo-N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide?
5-bromo-N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide has a molecular weight of 357.23 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide is sourced from PubChem (CID 1222183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).