N-[2-[[2-[(5-bromo-2-pyridinyl)sulfanyl]benzoyl]amino]ethyl]furan-2-carboxamide

C19H16BrN3O3S — CID 55967071

IUPACN-[2-[[2-[(5-bromo-2-pyridinyl)sulfanyl]benzoyl]amino]ethyl]furan-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccccc1Sc1ccc(Br)cn1)c1ccco1
InChIInChI=1S/C19H16BrN3O3S/c20-13-7-8-17(23-12-13)27-16-6-2-1-4-14(16)18(24)21-9-10-22-19(25)15-5-3-11-26-15/h1-8,11-12H,9-10H2,(H,21,24)(H,22,25)
InChIKeyWDRBIUVKQSZXOC-UHFFFAOYSA-N
MW446.33 g/mol
LogP3.75
Rot. Bonds7

About N-[2-[[2-[(5-bromo-2-pyridinyl)sulfanyl]benzoyl]amino]ethyl]furan-2-carboxamide

N-[2-[[2-[(5-bromo-2-pyridinyl)sulfanyl]benzoyl]amino]ethyl]furan-2-carboxamide (PubChem CID 55967071) has the molecular formula C19H16BrN3O3S and a molecular weight of 446.33 g/mol. Its IUPAC name is N-[2-[[2-[(5-bromo-2-pyridinyl)sulfanyl]benzoyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-[(5-bromo-2-pyridinyl)sulfanyl]benzoyl]amino]ethyl]furan-2-carboxamide
PubChem CID55967071
Molecular FormulaC19H16BrN3O3S
Molecular Weight446.33 g/mol
Exact Mass445.01
IUPAC NameN-[2-[[2-[(5-bromo-2-pyridinyl)sulfanyl]benzoyl]amino]ethyl]furan-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccccc1Sc1ccc(Br)cn1)c1ccco1
InChIInChI=1S/C19H16BrN3O3S/c20-13-7-8-17(23-12-13)27-16-6-2-1-4-14(16)18(24)21-9-10-22-19(25)15-5-3-11-26-15/h1-8,11-12H,9-10H2,(H,21,24)(H,22,25)
InChIKeyWDRBIUVKQSZXOC-UHFFFAOYSA-N
XLogP3.75
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[3-(methylamino)propyl]benzamide;dihydrochloride
CID 119432163
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 55966169
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 55966066
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 55813462
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
CID 55966697
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119452204
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55813556
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(4-methylsulfonylphenyl)benzamide
CID 52659798
N-[3-[(2-aminobenzoyl)amino]propyl]furan-2-carboxamide
CID 24824972
N-[2-[(2-benzylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 38227641
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(3-methylsulfanylphenyl)benzamide
CID 55811010
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 55811408

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(5-bromo-2-pyridinyl)sulfanyl]benzoyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-[(5-bromo-2-pyridinyl)sulfanyl]benzoyl]amino]ethyl]furan-2-carboxamide (CID 55967071) is N-[2-[[2-[(5-bromo-2-pyridinyl)sulfanyl]benzoyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-[(5-bromo-2-pyridinyl)sulfanyl]benzoyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-[(5-bromo-2-pyridinyl)sulfanyl]benzoyl]amino]ethyl]furan-2-carboxamide is O=C(NCCNC(=O)c1ccccc1Sc1ccc(Br)cn1)c1ccco1.
What is the InChIKey of N-[2-[[2-[(5-bromo-2-pyridinyl)sulfanyl]benzoyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is WDRBIUVKQSZXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O3S/c20-13-7-8-17(23-12-13)27-16-6-2-1-4-14(16)18(24)21-9-10-22-19(25)15-5-3-11-26-15/h1-8,11-12H,9-10H2,(H,21,24)(H,22,25).
What are the key properties of N-[2-[[2-[(5-bromo-2-pyridinyl)sulfanyl]benzoyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[2-[(5-bromo-2-pyridinyl)sulfanyl]benzoyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 446.33 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[(5-bromo-2-pyridinyl)sulfanyl]benzoyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 55967071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).