3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide

C23H31N3O3S — CID 99971504

IUPAC3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC3CCN(C)CC3)cc2C)cc1
InChIInChI=1S/C23H31N3O3S/c1-17-4-7-21(8-5-17)30(28,29)25-22-9-6-20(16-18(22)2)23(27)24-13-10-19-11-14-26(3)15-12-19/h4-9,16,19,25H,10-15H2,1-3H3,(H,24,27)
InChIKeyYWIVTFGUGOHDKI-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.57
Rot. Bonds7

About 3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide

3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide (PubChem CID 99971504) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
PubChem CID99971504
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC3CCN(C)CC3)cc2C)cc1
InChIInChI=1S/C23H31N3O3S/c1-17-4-7-21(8-5-17)30(28,29)25-22-9-6-20(16-18(22)2)23(27)24-13-10-19-11-14-26(3)15-12-19/h4-9,16,19,25H,10-15H2,1-3H3,(H,24,27)
InChIKeyYWIVTFGUGOHDKI-UHFFFAOYSA-N
XLogP3.57
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114516650
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99972490
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99971355
3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)benzamide
CID 19062794
N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 41465640
4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061332
4-hydrazinyl-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63211845
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 100577503
3-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43876108
N-[(4-methoxyphenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062773
4-methyl-N-[2-[(1-methylpiperidin-4-yl)methylamino]ethyl]benzamide
CID 62657165
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
CID 119865905

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The IUPAC name of 3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide (CID 99971504) is 3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The canonical SMILES for 3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC3CCN(C)CC3)cc2C)cc1.
What is the InChIKey of 3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The InChIKey is YWIVTFGUGOHDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-17-4-7-21(8-5-17)30(28,29)25-22-9-6-20(16-18(22)2)23(27)24-13-10-19-11-14-26(3)15-12-19/h4-9,16,19,25H,10-15H2,1-3H3,(H,24,27).
What are the key properties of 3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide has a molecular weight of 429.59 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide is sourced from PubChem (CID 99971504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).