5-methyl-N-[1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidin-4-yl]furan-2-carboxamide

C18H23N3O6S2 — CID 56578618

IUPAC5-methyl-N-[1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidin-4-yl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(c3ccc(S(N)(=O)=O)cc3S(C)(=O)=O)CC2)o1
InChIInChI=1S/C18H23N3O6S2/c1-12-3-6-16(27-12)18(22)20-13-7-9-21(10-8-13)15-5-4-14(29(19,25)26)11-17(15)28(2,23)24/h3-6,11,13H,7-10H2,1-2H3,(H,20,22)(H2,19,25,26)
InChIKeyQSJCOWJGENEAAI-UHFFFAOYSA-N
MW441.53 g/mol
LogP1.04
Rot. Bonds5

About 5-methyl-N-[1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidin-4-yl]furan-2-carboxamide

5-methyl-N-[1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 56578618) has the molecular formula C18H23N3O6S2 and a molecular weight of 441.53 g/mol. Its IUPAC name is 5-methyl-N-[1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID56578618
Molecular FormulaC18H23N3O6S2
Molecular Weight441.53 g/mol
Exact Mass441.10
IUPAC Name5-methyl-N-[1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidin-4-yl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(c3ccc(S(N)(=O)=O)cc3S(C)(=O)=O)CC2)o1
InChIInChI=1S/C18H23N3O6S2/c1-12-3-6-16(27-12)18(22)20-13-7-9-21(10-8-13)15-5-4-14(29(19,25)26)11-17(15)28(2,23)24/h3-6,11,13H,7-10H2,1-2H3,(H,20,22)(H2,19,25,26)
InChIKeyQSJCOWJGENEAAI-UHFFFAOYSA-N
XLogP1.04
TPSA139.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide
CID 47157349
4-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-3-methylsulfonylbenzenesulfonamide
CID 56578839
N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide
CID 47058432
N-cyclopropyl-1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidine-3-carboxamide
CID 56578586
N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]propanamide
CID 47058453
3-methylsulfonyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzenesulfonamide
CID 56563902
5-methyl-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
CID 49460379
1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-ol
CID 22109063
methyl 4-[(2-methyl-5-sulfamoylbenzoyl)amino]piperidine-1-carboxylate
CID 47072778
2-methyl-N-[1-(2-nitro-4-sulfamoylphenyl)piperidin-4-yl]propanamide
CID 55828149
4-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-methylsulfonylbenzenesulfonamide
CID 56578870
5-methyl-N-[1-(2-nitrobenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 49358828

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of 5-methyl-N-[1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidin-4-yl]furan-2-carboxamide (CID 56578618) is 5-methyl-N-[1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidin-4-yl]furan-2-carboxamide is Cc1ccc(C(=O)NC2CCN(c3ccc(S(N)(=O)=O)cc3S(C)(=O)=O)CC2)o1.
What is the InChIKey of 5-methyl-N-[1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is QSJCOWJGENEAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6S2/c1-12-3-6-16(27-12)18(22)20-13-7-9-21(10-8-13)15-5-4-14(29(19,25)26)11-17(15)28(2,23)24/h3-6,11,13H,7-10H2,1-2H3,(H,20,22)(H2,19,25,26).
What are the key properties of 5-methyl-N-[1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidin-4-yl]furan-2-carboxamide?
5-methyl-N-[1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 56578618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).