N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-(phenoxymethyl)furan-2-carboxamide

C24H26N2O5S — CID 31289277

IUPACN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C24H26N2O5S/c1-18-10-11-19(16-23(18)32(28,29)26-14-6-3-7-15-26)25-24(27)22-13-12-21(31-22)17-30-20-8-4-2-5-9-20/h2,4-5,8-13,16H,3,6-7,14-15,17H2,1H3,(H,25,27)
InChIKeyDHLYBNZCVSXORM-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.59
Rot. Bonds7

About N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-(phenoxymethyl)furan-2-carboxamide

N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-(phenoxymethyl)furan-2-carboxamide (PubChem CID 31289277) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
PubChem CID31289277
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C24H26N2O5S/c1-18-10-11-19(16-23(18)32(28,29)26-14-6-3-7-15-26)25-24(27)22-13-12-21(31-22)17-30-20-8-4-2-5-9-20/h2,4-5,8-13,16H,3,6-7,14-15,17H2,1H3,(H,25,27)
InChIKeyDHLYBNZCVSXORM-UHFFFAOYSA-N
XLogP4.59
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide
CID 35728693
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide
CID 3592992
5-(phenoxymethyl)-N'-(3-piperidin-1-ylsulfonylbenzoyl)furan-2-carbohydrazide
CID 46521441
2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 119943663
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
3-(methoxymethyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 33181811
N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 43050364
5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 19450839
N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830628
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
5-(phenoxymethyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)furan-2-carboxamide
CID 43041629
N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7341802

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-(phenoxymethyl)furan-2-carboxamide (CID 31289277) is N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-(phenoxymethyl)furan-2-carboxamide is Cc1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is DHLYBNZCVSXORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-18-10-11-19(16-23(18)32(28,29)26-14-6-3-7-15-26)25-24(27)22-13-12-21(31-22)17-30-20-8-4-2-5-9-20/h2,4-5,8-13,16H,3,6-7,14-15,17H2,1H3,(H,25,27).
What are the key properties of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-(phenoxymethyl)furan-2-carboxamide?
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 31289277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).