4-[(4-methylphenyl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide

C20H25N3O3S — CID 119462922

IUPAC4-[(4-methylphenyl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC3CCCNC3)cc2)cc1
InChIInChI=1S/C20H25N3O3S/c1-15-4-8-18(9-5-15)23-27(25,26)19-10-6-17(7-11-19)20(24)22-14-16-3-2-12-21-13-16/h4-11,16,21,23H,2-3,12-14H2,1H3,(H,22,24)
InChIKeyWEOAHSAQQRDUHM-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.53
Rot. Bonds6

About 4-[(4-methylphenyl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide

4-[(4-methylphenyl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 119462922) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-[(4-methylphenyl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide
PubChem CID119462922
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name4-[(4-methylphenyl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC3CCCNC3)cc2)cc1
InChIInChI=1S/C20H25N3O3S/c1-15-4-8-18(9-5-15)23-27(25,26)19-10-6-17(7-11-19)20(24)22-14-16-3-2-12-21-13-16/h4-11,16,21,23H,2-3,12-14H2,1H3,(H,22,24)
InChIKeyWEOAHSAQQRDUHM-UHFFFAOYSA-N
XLogP2.53
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(phenylsulfamoyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119461716
4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119461851
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463409
4-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564844
N-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2083250
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
4-benzylsulfonyl-N-(piperidin-3-ylmethyl)benzamide
CID 119462777
3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 119464322
4-(dimethylamino)-N-(piperidin-3-ylmethyl)benzamide
CID 43329219
3-(methanesulfonamido)-4-methyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461880
4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462020
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 4-[(4-methylphenyl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide (CID 119462922) is 4-[(4-methylphenyl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4-methylphenyl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[(4-methylphenyl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC3CCCNC3)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is WEOAHSAQQRDUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-15-4-8-18(9-5-15)23-27(25,26)19-10-6-17(7-11-19)20(24)22-14-16-3-2-12-21-13-16/h4-11,16,21,23H,2-3,12-14H2,1H3,(H,22,24).
What are the key properties of 4-[(4-methylphenyl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide?
4-[(4-methylphenyl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 387.51 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 119462922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).