N-(3-cyano-5-ethylthiophen-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide

C17H19N3O4S2 — CID 55905052

IUPACN-(3-cyano-5-ethylthiophen-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESCCc1cc(C#N)c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)s1
InChIInChI=1S/C17H19N3O4S2/c1-2-13-10-12(11-18)17(25-13)19-16(21)14-6-7-15(24-14)26(22,23)20-8-4-3-5-9-20/h6-7,10H,2-5,8-9H2,1H3,(H,19,21)
InChIKeyGPDRUQGZJINVJY-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.20
Rot. Bonds5

About N-(3-cyano-5-ethylthiophen-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide

N-(3-cyano-5-ethylthiophen-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 55905052) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(3-cyano-5-ethylthiophen-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-5-ethylthiophen-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID55905052
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC NameN-(3-cyano-5-ethylthiophen-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESCCc1cc(C#N)c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)s1
InChIInChI=1S/C17H19N3O4S2/c1-2-13-10-12(11-18)17(25-13)19-16(21)14-6-7-15(24-14)26(22,23)20-8-4-3-5-9-20/h6-7,10H,2-5,8-9H2,1H3,(H,19,21)
InChIKeyGPDRUQGZJINVJY-UHFFFAOYSA-N
XLogP3.20
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-cyano-5-ethylthiophen-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide with MolForge

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Related Compounds

3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-cyano-5-ethylthiophen-2-yl)benzamide
CID 55905941
N-(3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 46408539
methyl 2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 55632929
N-(3-cyano-5-ethylthiophen-2-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
CID 55905431
N-(3-cyano-5-ethylthiophen-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 55905047
N-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55630451
5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 55920724
N-[1-(3-chlorophenyl)propyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55632155
methyl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]benzoate
CID 46547480
N-[(5-ethylthiophen-2-yl)methyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 46466417
ethyl 4-cyclopropyl-2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]thiophene-3-carboxylate
CID 55630530
3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoic acid
CID 75417895

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-ethylthiophen-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-(3-cyano-5-ethylthiophen-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide (CID 55905052) is N-(3-cyano-5-ethylthiophen-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-(3-cyano-5-ethylthiophen-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-(3-cyano-5-ethylthiophen-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide is CCc1cc(C#N)c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)s1.
What is the InChIKey of N-(3-cyano-5-ethylthiophen-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is GPDRUQGZJINVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c1-2-13-10-12(11-18)17(25-13)19-16(21)14-6-7-15(24-14)26(22,23)20-8-4-3-5-9-20/h6-7,10H,2-5,8-9H2,1H3,(H,19,21).
What are the key properties of N-(3-cyano-5-ethylthiophen-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
N-(3-cyano-5-ethylthiophen-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-ethylthiophen-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 55905052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).