N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide

C19H23N3O5S — CID 55660521

IUPACN-[2-methyl-3-(methylcarbamoyl)phenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)c1C
InChIInChI=1S/C19H23N3O5S/c1-13-14(18(23)20-2)7-6-8-15(13)21-19(24)16-9-10-17(27-16)28(25,26)22-11-4-3-5-12-22/h6-10H,3-5,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyZZFGNUVXSAOGMP-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.37
Rot. Bonds5

About N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide

N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 55660521) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(methylcarbamoyl)phenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID55660521
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC NameN-[2-methyl-3-(methylcarbamoyl)phenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)c1C
InChIInChI=1S/C19H23N3O5S/c1-13-14(18(23)20-2)7-6-8-15(13)21-19(24)16-9-10-17(27-16)28(25,26)22-11-4-3-5-12-22/h6-10H,3-5,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyZZFGNUVXSAOGMP-UHFFFAOYSA-N
XLogP2.37
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 46461599
methyl 2-hydroxy-3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]benzoate
CID 56576104
5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 55920724
N-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55630451
5-piperidin-1-ylsulfonyl-N-(2-propoxyphenyl)furan-2-carboxamide
CID 46411239
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55633494
N-(2,4-dibromophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55631341
N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 84578663
1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 46461883
N-(2-methyl-4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55632664
N-(5-chloro-2,4-dimethoxyphenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 46575932
methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate
CID 716787

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide (CID 55660521) is N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide is CNC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)c1C.
What is the InChIKey of N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is ZZFGNUVXSAOGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-13-14(18(23)20-2)7-6-8-15(13)21-19(24)16-9-10-17(27-16)28(25,26)22-11-4-3-5-12-22/h6-10H,3-5,11-12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 55660521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).