N-[2-(2-amino-5-bromophenyl)sulfanylacetyl]furan-2-carboxamide

C13H11BrN2O3S — CID 79533862

IUPACN-[2-(2-amino-5-bromophenyl)sulfanylacetyl]furan-2-carboxamide
SMILESNc1ccc(Br)cc1SCC(=O)NC(=O)c1ccco1
InChIInChI=1S/C13H11BrN2O3S/c14-8-3-4-9(15)11(6-8)20-7-12(17)16-13(18)10-2-1-5-19-10/h1-6H,7,15H2,(H,16,17,18)
InChIKeyJIGXJENVHDBWPB-UHFFFAOYSA-N
MW355.21 g/mol
LogP2.67
Rot. Bonds4

About N-[2-(2-amino-5-bromophenyl)sulfanylacetyl]furan-2-carboxamide

N-[2-(2-amino-5-bromophenyl)sulfanylacetyl]furan-2-carboxamide (PubChem CID 79533862) has the molecular formula C13H11BrN2O3S and a molecular weight of 355.21 g/mol. Its IUPAC name is N-[2-(2-amino-5-bromophenyl)sulfanylacetyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-5-bromophenyl)sulfanylacetyl]furan-2-carboxamide
PubChem CID79533862
Molecular FormulaC13H11BrN2O3S
Molecular Weight355.21 g/mol
Exact Mass353.97
IUPAC NameN-[2-(2-amino-5-bromophenyl)sulfanylacetyl]furan-2-carboxamide
SMILESNc1ccc(Br)cc1SCC(=O)NC(=O)c1ccco1
InChIInChI=1S/C13H11BrN2O3S/c14-8-3-4-9(15)11(6-8)20-7-12(17)16-13(18)10-2-1-5-19-10/h1-6H,7,15H2,(H,16,17,18)
InChIKeyJIGXJENVHDBWPB-UHFFFAOYSA-N
XLogP2.67
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-amino-5-methoxyphenyl)sulfanylacetyl]furan-2-carboxamide
CID 79516080
N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]furan-2-carboxamide
CID 43304156
2-(2-amino-5-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 79533347
N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]furan-2-carboxamide
CID 43303059
2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylbenzoic acid
CID 43169841
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 79533863
N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]furan-2-carboxamide
CID 41478237
2-(2-amino-5-bromophenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 79519416
S-[2-(furan-2-carbonylamino)-2-oxoethyl] ethanethioate
CID 23347862
2-(2-amino-5-bromophenyl)sulfanyl-N-cyclopentylacetamide
CID 79533636
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 79533282
2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79533619

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-5-bromophenyl)sulfanylacetyl]furan-2-carboxamide?
The IUPAC name of N-[2-(2-amino-5-bromophenyl)sulfanylacetyl]furan-2-carboxamide (CID 79533862) is N-[2-(2-amino-5-bromophenyl)sulfanylacetyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-amino-5-bromophenyl)sulfanylacetyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2-amino-5-bromophenyl)sulfanylacetyl]furan-2-carboxamide is Nc1ccc(Br)cc1SCC(=O)NC(=O)c1ccco1.
What is the InChIKey of N-[2-(2-amino-5-bromophenyl)sulfanylacetyl]furan-2-carboxamide?
The InChIKey is JIGXJENVHDBWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3S/c14-8-3-4-9(15)11(6-8)20-7-12(17)16-13(18)10-2-1-5-19-10/h1-6H,7,15H2,(H,16,17,18).
What are the key properties of N-[2-(2-amino-5-bromophenyl)sulfanylacetyl]furan-2-carboxamide?
N-[2-(2-amino-5-bromophenyl)sulfanylacetyl]furan-2-carboxamide has a molecular weight of 355.21 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-5-bromophenyl)sulfanylacetyl]furan-2-carboxamide is sourced from PubChem (CID 79533862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).