N-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide

C20H24N2O4S — CID 46764677

IUPACN-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C20H24N2O4S/c1-26-19-7-5-6-18(14-19)21-20(23)17-10-8-16(9-11-17)15-27(24,25)22-12-3-2-4-13-22/h5-11,14H,2-4,12-13,15H2,1H3,(H,21,23)
InChIKeyKBXOXZOTSBUHAF-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.26
Rot. Bonds6

About N-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide

N-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide (PubChem CID 46764677) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
PubChem CID46764677
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C20H24N2O4S/c1-26-19-7-5-6-18(14-19)21-20(23)17-10-8-16(9-11-17)15-27(24,25)22-12-3-2-4-13-22/h5-11,14H,2-4,12-13,15H2,1H3,(H,21,23)
InChIKeyKBXOXZOTSBUHAF-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-propan-2-yloxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 30393222
N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46778377
N-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 46763734
N-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385815
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 99940107
N-(4-bromo-3-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 92671481
methyl 3-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 28631351
4-benzylsulfonyl-N-(3-methoxyphenyl)piperazine-1-carbothioamide
CID 8658304
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
N-(4-chloro-2,5-dimethoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 30395840
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665
4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 53286074

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The IUPAC name of N-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide (CID 46764677) is N-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide is COc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The InChIKey is KBXOXZOTSBUHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-26-19-7-5-6-18(14-19)21-20(23)17-10-8-16(9-11-17)15-27(24,25)22-12-3-2-4-13-22/h5-11,14H,2-4,12-13,15H2,1H3,(H,21,23).
What are the key properties of N-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
N-(3-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-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 46764677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).