N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide

C21H25N3O5S — CID 56572529

IUPACN-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESCCOc1ccc(N(CCC#N)C(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)cc1
InChIInChI=1S/C21H25N3O5S/c1-2-28-18-9-7-17(8-10-18)24(16-6-13-22)21(25)19-11-12-20(29-19)30(26,27)23-14-4-3-5-15-23/h7-12H,2-6,14-16H2,1H3
InChIKeyHPIMUGBTTQLAPT-UHFFFAOYSA-N
MW431.51 g/mol
LogP3.41
Rot. Bonds8

About N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide

N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 56572529) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID56572529
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC NameN-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESCCOc1ccc(N(CCC#N)C(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)cc1
InChIInChI=1S/C21H25N3O5S/c1-2-28-18-9-7-17(8-10-18)24(16-6-13-22)21(25)19-11-12-20(29-19)30(26,27)23-14-4-3-5-15-23/h7-12H,2-6,14-16H2,1H3
InChIKeyHPIMUGBTTQLAPT-UHFFFAOYSA-N
XLogP3.41
TPSA103.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyanoethyl)-5-[(2-cyanophenoxy)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 56534140
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide
CID 56572809
N-(2-cyanoethyl)-2-[cyclopentyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)acetamide
CID 56569940
1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 56534094
1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-oxopyridine-3-carboxamide
CID 56572502
N-(2-cyanoethyl)-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 52621407
N-[2-(3,4-diethoxyphenyl)ethyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55630550
N-[(2-chlorophenyl)methyl]-N-ethyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55632364
N-(2-cyanoethyl)-2-cyclohexyl-N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 56572716
N-(2-cyanoethyl)-5-(diethylsulfamoyl)-N-(4-ethoxyphenyl)-2-methylbenzamide
CID 55378041
methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate
CID 716787
4,5-dibromo-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 55488066

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide (CID 56572529) is N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide is CCOc1ccc(N(CCC#N)C(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is HPIMUGBTTQLAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-2-28-18-9-7-17(8-10-18)24(16-6-13-22)21(25)19-11-12-20(29-19)30(26,27)23-14-4-3-5-15-23/h7-12H,2-6,14-16H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 431.51 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 56572529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).