N-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide

C17H20N2O6S2 — CID 55630451

IUPACN-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)cc1
InChIInChI=1S/C17H20N2O6S2/c1-26(21,22)14-7-5-13(6-8-14)18-17(20)15-9-10-16(25-15)27(23,24)19-11-3-2-4-12-19/h5-10H,2-4,11-12H2,1H3,(H,18,20)
InChIKeyTXMHLRPGIWTSOE-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.11
Rot. Bonds5

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

N-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 55630451) has the molecular formula C17H20N2O6S2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID55630451
Molecular FormulaC17H20N2O6S2
Molecular Weight412.49 g/mol
Exact Mass412.08
IUPAC NameN-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)cc1
InChIInChI=1S/C17H20N2O6S2/c1-26(21,22)14-7-5-13(6-8-14)18-17(20)15-9-10-16(25-15)27(23,24)19-11-3-2-4-12-19/h5-10H,2-4,11-12H2,1H3,(H,18,20)
InChIKeyTXMHLRPGIWTSOE-UHFFFAOYSA-N
XLogP2.11
TPSA113.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]benzoate
CID 46547480
5-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 17431155
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55633164
5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 55920724
ethyl (E)-3-[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]phenyl]prop-2-enoate
CID 46404124
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone
CID 55873184
methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate
CID 716787
N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55660521
5-(4-acetylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 2557228
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55783915
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-5-(methylsulfamoyl)furan-2-carboxamide
CID 55678464
N-(3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 46408539

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide (CID 55630451) is N-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide is CS(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is TXMHLRPGIWTSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6S2/c1-26(21,22)14-7-5-13(6-8-14)18-17(20)15-9-10-16(25-15)27(23,24)19-11-3-2-4-12-19/h5-10H,2-4,11-12H2,1H3,(H,18,20).
What are the key properties of N-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
N-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 55630451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).