4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide

C23H31N3O3S — CID 53278776

IUPAC4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCCN(Cc1ccc(C(=O)NC2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H31N3O3S/c1-4-26(30(28,29)22-11-5-18(2)6-12-22)17-19-7-9-20(10-8-19)23(27)24-21-13-15-25(3)16-14-21/h5-12,21H,4,13-17H2,1-3H3,(H,24,27)
InChIKeyOYNQBJBXPUTRJQ-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.03
Rot. Bonds7

About 4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide

4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 53278776) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID53278776
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCCN(Cc1ccc(C(=O)NC2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H31N3O3S/c1-4-26(30(28,29)22-11-5-18(2)6-12-22)17-19-7-9-20(10-8-19)23(27)24-21-13-15-25(3)16-14-21/h5-12,21H,4,13-17H2,1-3H3,(H,24,27)
InChIKeyOYNQBJBXPUTRJQ-UHFFFAOYSA-N
XLogP3.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278728
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide
CID 53279690
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278727
4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]benzoic acid
CID 100553237
4-(diethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542801
2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide
CID 99967313
4-(diethylsulfamoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 55721603
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(diethylsulfamoyl)-N,2-dimethylbenzamide
CID 38394548
4-(diethylsulfamoyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388262
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278671
N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2093173
4-[ethyl(ethylsulfonyl)amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 50945980

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide (CID 53278776) is 4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide is CCN(Cc1ccc(C(=O)NC2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is OYNQBJBXPUTRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-4-26(30(28,29)22-11-5-18(2)6-12-22)17-19-7-9-20(10-8-19)23(27)24-21-13-15-25(3)16-14-21/h5-12,21H,4,13-17H2,1-3H3,(H,24,27).
What are the key properties of 4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide?
4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 429.59 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 53278776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).