N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide

C20H24N2O4S — CID 46778377

IUPACN-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-26-19-11-9-18(10-12-19)21-20(23)17-7-5-16(6-8-17)15-27(24,25)22-13-3-2-4-14-22/h5-12H,2-4,13-15H2,1H3,(H,21,23)
InChIKeyFHWCCUXJHKBKON-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.26
Rot. Bonds6

About N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide

N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide (PubChem CID 46778377) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
PubChem CID46778377
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-26-19-11-9-18(10-12-19)21-20(23)17-7-5-16(6-8-17)15-27(24,25)22-13-3-2-4-14-22/h5-12H,2-4,13-15H2,1H3,(H,21,23)
InChIKeyFHWCCUXJHKBKON-UHFFFAOYSA-N
XLogP3.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46764677
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 99940107
N-[2-(4-methoxyphenyl)ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 99959532
4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)benzamide
CID 16599312
N-[1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 43909251
N-(4-phenylmethoxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 28633511
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 93487370
[4-[(4-methoxybenzoyl)amino]phenyl]methanesulfonyl chloride
CID 141453398
4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 53286074
N-(4-bromo-3-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 92671481
methyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 92676862
N-(3-propan-2-yloxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 30393222

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide (CID 46778377) is N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide is COc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The InChIKey is FHWCCUXJHKBKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-26-19-11-9-18(10-12-19)21-20(23)17-7-5-16(6-8-17)15-27(24,25)22-13-3-2-4-14-22/h5-12H,2-4,13-15H2,1H3,(H,21,23).
What are the key properties of N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide has a molecular weight of 388.49 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 46778377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).