4-(ethylsulfamoyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide

C22H29N3O3S — CID 46482213

IUPAC4-(ethylsulfamoyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)NC2CCN(Cc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-3-23-29(27,28)21-9-7-19(8-10-21)22(26)24-20-11-13-25(14-12-20)16-18-6-4-5-17(2)15-18/h4-10,15,20,23H,3,11-14,16H2,1-2H3,(H,24,26)
InChIKeyGVQSUBGASWXIEI-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.69
Rot. Bonds7

About 4-(ethylsulfamoyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide

4-(ethylsulfamoyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 46482213) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 4-(ethylsulfamoyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-(ethylsulfamoyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
PubChem CID46482213
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name4-(ethylsulfamoyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)NC2CCN(Cc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-3-23-29(27,28)21-9-7-19(8-10-21)22(26)24-20-11-13-25(14-12-20)16-18-6-4-5-17(2)15-18/h4-10,15,20,23H,3,11-14,16H2,1-2H3,(H,24,26)
InChIKeyGVQSUBGASWXIEI-UHFFFAOYSA-N
XLogP2.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46482229
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 55735053
2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide
CID 55745159
3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55844142
4-(ethylsulfamoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 24543001
4-(cyclopropylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946520
4-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55845430
5-(ethylsulfamoyl)-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55754112
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-propan-2-ylsulfonylbenzamide
CID 55945588
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-propan-2-ylsulfonylbenzamide
CID 55964244
4-(dimethylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946515

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfamoyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-(ethylsulfamoyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide (CID 46482213) is 4-(ethylsulfamoyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-(ethylsulfamoyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-(ethylsulfamoyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide is CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(Cc3cccc(C)c3)CC2)cc1.
What is the InChIKey of 4-(ethylsulfamoyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is GVQSUBGASWXIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-3-23-29(27,28)21-9-7-19(8-10-21)22(26)24-20-11-13-25(14-12-20)16-18-6-4-5-17(2)15-18/h4-10,15,20,23H,3,11-14,16H2,1-2H3,(H,24,26).
What are the key properties of 4-(ethylsulfamoyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide?
4-(ethylsulfamoyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide has a molecular weight of 415.56 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfamoyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46482213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).