4-[(ethylsulfonylamino)methyl]-N-(3-methylpiperidin-4-yl)benzamide

C16H25N3O3S — CID 120557775

IUPAC4-[(ethylsulfonylamino)methyl]-N-(3-methylpiperidin-4-yl)benzamide
SMILESCCS(=O)(=O)NCc1ccc(C(=O)NC2CCNCC2C)cc1
InChIInChI=1S/C16H25N3O3S/c1-3-23(21,22)18-11-13-4-6-14(7-5-13)16(20)19-15-8-9-17-10-12(15)2/h4-7,12,15,17-18H,3,8-11H2,1-2H3,(H,19,20)
InChIKeyCBCKBMMTHFVVFB-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.85
Rot. Bonds6

About 4-[(ethylsulfonylamino)methyl]-N-(3-methylpiperidin-4-yl)benzamide

4-[(ethylsulfonylamino)methyl]-N-(3-methylpiperidin-4-yl)benzamide (PubChem CID 120557775) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-[(ethylsulfonylamino)methyl]-N-(3-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[(ethylsulfonylamino)methyl]-N-(3-methylpiperidin-4-yl)benzamide
PubChem CID120557775
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name4-[(ethylsulfonylamino)methyl]-N-(3-methylpiperidin-4-yl)benzamide
SMILESCCS(=O)(=O)NCc1ccc(C(=O)NC2CCNCC2C)cc1
InChIInChI=1S/C16H25N3O3S/c1-3-23(21,22)18-11-13-4-6-14(7-5-13)16(20)19-15-8-9-17-10-12(15)2/h4-7,12,15,17-18H,3,8-11H2,1-2H3,(H,19,20)
InChIKeyCBCKBMMTHFVVFB-UHFFFAOYSA-N
XLogP0.85
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557244
4-(cyclopropylmethoxy)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556355
N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-(3-methylpiperidin-4-yl)benzamide
CID 120553759
N-(3-methylpiperidin-4-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 120556230
N-(3-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 120555926
N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide
CID 120556672
4-(1,3-dithian-2-yl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120554586
N-(3-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120555623
N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride
CID 120556844
3-(diethylsulfamoyl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556196

Frequently Asked Questions

What is the IUPAC name of 4-[(ethylsulfonylamino)methyl]-N-(3-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[(ethylsulfonylamino)methyl]-N-(3-methylpiperidin-4-yl)benzamide (CID 120557775) is 4-[(ethylsulfonylamino)methyl]-N-(3-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[(ethylsulfonylamino)methyl]-N-(3-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[(ethylsulfonylamino)methyl]-N-(3-methylpiperidin-4-yl)benzamide is CCS(=O)(=O)NCc1ccc(C(=O)NC2CCNCC2C)cc1.
What is the InChIKey of 4-[(ethylsulfonylamino)methyl]-N-(3-methylpiperidin-4-yl)benzamide?
The InChIKey is CBCKBMMTHFVVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-23(21,22)18-11-13-4-6-14(7-5-13)16(20)19-15-8-9-17-10-12(15)2/h4-7,12,15,17-18H,3,8-11H2,1-2H3,(H,19,20).
What are the key properties of 4-[(ethylsulfonylamino)methyl]-N-(3-methylpiperidin-4-yl)benzamide?
4-[(ethylsulfonylamino)methyl]-N-(3-methylpiperidin-4-yl)benzamide has a molecular weight of 339.46 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(ethylsulfonylamino)methyl]-N-(3-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 120557775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).