N-(2-methyl-4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide

C21H27N3O5S — CID 55632664

IUPACN-(2-methyl-4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1cc(N2CCOCC2)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1
InChIInChI=1S/C21H27N3O5S/c1-16-15-17(23-11-13-28-14-12-23)5-6-18(16)22-21(25)19-7-8-20(29-19)30(26,27)24-9-3-2-4-10-24/h5-8,15H,2-4,9-14H2,1H3,(H,22,25)
InChIKeyFIYVSFDJRYIBSO-UHFFFAOYSA-N
MW433.53 g/mol
LogP2.85
Rot. Bonds5

About N-(2-methyl-4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide

N-(2-methyl-4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 55632664) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-(2-methyl-4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID55632664
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC NameN-(2-methyl-4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1cc(N2CCOCC2)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1
InChIInChI=1S/C21H27N3O5S/c1-16-15-17(23-11-13-28-14-12-23)5-6-18(16)22-21(25)19-7-8-20(29-19)30(26,27)24-9-3-2-4-10-24/h5-8,15H,2-4,9-14H2,1H3,(H,22,25)
InChIKeyFIYVSFDJRYIBSO-UHFFFAOYSA-N
XLogP2.85
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 39087927
N-(2,4-dibromophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55631341
5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 55920724
N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 84578663
methyl 2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]-5-morpholin-4-ylbenzoate
CID 56523449
4,5-dichloro-1-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)pyrrole-2-carboxamide
CID 154773651
5-bromo-N-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 137370573
N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 2361311
N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55660521
4-ethyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 43058910
N-(5-chloro-2,4-dimethoxyphenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 46575932
2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 2111262

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-(2-methyl-4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide (CID 55632664) is N-(2-methyl-4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-(2-methyl-4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-(2-methyl-4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide is Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1.
What is the InChIKey of N-(2-methyl-4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is FIYVSFDJRYIBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-16-15-17(23-11-13-28-14-12-23)5-6-18(16)22-21(25)19-7-8-20(29-19)30(26,27)24-9-3-2-4-10-24/h5-8,15H,2-4,9-14H2,1H3,(H,22,25).
What are the key properties of N-(2-methyl-4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
N-(2-methyl-4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 55632664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).