N-[6-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide

C19H18N4O5S — CID 42139293

IUPACN-[6-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)CSc2ccc(NC(=O)c3ccco3)nn2)cc1OC
InChIInChI=1S/C19H18N4O5S/c1-26-13-6-5-12(10-15(13)27-2)20-17(24)11-29-18-8-7-16(22-23-18)21-19(25)14-4-3-9-28-14/h3-10H,11H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyFNEWNJDZSCSCFZ-UHFFFAOYSA-N
MW414.44 g/mol
LogP3.07
Rot. Bonds8

About N-[6-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide

N-[6-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide (PubChem CID 42139293) has the molecular formula C19H18N4O5S and a molecular weight of 414.44 g/mol. Its IUPAC name is N-[6-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide
PubChem CID42139293
Molecular FormulaC19H18N4O5S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC NameN-[6-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)CSc2ccc(NC(=O)c3ccco3)nn2)cc1OC
InChIInChI=1S/C19H18N4O5S/c1-26-13-6-5-12(10-15(13)27-2)20-17(24)11-29-18-8-7-16(22-23-18)21-19(25)14-4-3-9-28-14/h3-10H,11H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyFNEWNJDZSCSCFZ-UHFFFAOYSA-N
XLogP3.07
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide
CID 42139288
N-[6-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide
CID 42139322
N-[3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-4-methoxyphenyl]furan-2-carboxamide
CID 1299860
N-(3,4-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900443
1-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)urea
CID 971429
N-(3-ethyl-4-methoxyphenyl)furan-2-carboxamide
CID 110777193
N-(3-hydroxy-4-methoxyphenyl)furan-2-carboxamide
CID 56690057
N-(4-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502633
N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 1047583
N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)acetamide
CID 110690712
N-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904484
N-[6-(2-morpholin-4-ylethylsulfanyl)pyridazin-3-yl]furan-2-carboxamide
CID 30851593

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide?
The IUPAC name of N-[6-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide (CID 42139293) is N-[6-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[6-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[6-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide is COc1ccc(NC(=O)CSc2ccc(NC(=O)c3ccco3)nn2)cc1OC.
What is the InChIKey of N-[6-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide?
The InChIKey is FNEWNJDZSCSCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5S/c1-26-13-6-5-12(10-15(13)27-2)20-17(24)11-29-18-8-7-16(22-23-18)21-19(25)14-4-3-9-28-14/h3-10H,11H2,1-2H3,(H,20,24)(H,21,22,25).
What are the key properties of N-[6-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide?
N-[6-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide has a molecular weight of 414.44 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 42139293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).