N-[(5-methylfuran-2-yl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)benzamide

C24H26N2O4S — CID 20973698

IUPACN-[(5-methylfuran-2-yl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCc1ccc(CNC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)o1
InChIInChI=1S/C24H26N2O4S/c1-18-5-12-22(30-18)17-25-24(27)21-8-6-19(7-9-21)20-10-13-23(14-11-20)31(28,29)26-15-3-2-4-16-26/h5-14H,2-4,15-17H2,1H3,(H,25,27)
InChIKeyJGNWFFZKDZYMDU-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.36
Rot. Bonds6

About N-[(5-methylfuran-2-yl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)benzamide

N-[(5-methylfuran-2-yl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 20973698) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID20973698
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCc1ccc(CNC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)o1
InChIInChI=1S/C24H26N2O4S/c1-18-5-12-22(30-18)17-25-24(27)21-8-6-19(7-9-21)20-10-13-23(14-11-20)31(28,29)26-15-3-2-4-16-26/h5-14H,2-4,15-17H2,1H3,(H,25,27)
InChIKeyJGNWFFZKDZYMDU-UHFFFAOYSA-N
XLogP4.36
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(5-methylfuran-2-yl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 46387394
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 47728452
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 43948612
4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125482
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 121122580
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2710119
4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide
CID 2666739
N-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973692
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16867196

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)benzamide (CID 20973698) is N-[(5-methylfuran-2-yl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)benzamide is Cc1ccc(CNC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is JGNWFFZKDZYMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-18-5-12-22(30-18)17-25-24(27)21-8-6-19(7-9-21)20-10-13-23(14-11-20)31(28,29)26-15-3-2-4-16-26/h5-14H,2-4,15-17H2,1H3,(H,25,27).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)benzamide?
N-[(5-methylfuran-2-yl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 438.55 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 20973698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).