2-methyl-N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]benzamide

C23H31N3O3S — CID 166926318

IUPAC2-methyl-N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]benzamide
SMILESCc1cc(S(=O)(=O)N[C@H](C)C2CCN(C)CC2)ccc1NC(=O)c1ccccc1C
InChIInChI=1S/C23H31N3O3S/c1-16-7-5-6-8-21(16)23(27)24-22-10-9-20(15-17(22)2)30(28,29)25-18(3)19-11-13-26(4)14-12-19/h5-10,15,18-19,25H,11-14H2,1-4H3,(H,24,27)/t18-/m1/s1
InChIKeyPDAOEKSLYKFTKF-GOSISDBHSA-N
MW429.59 g/mol
LogP3.56
Rot. Bonds6

About 2-methyl-N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]benzamide

2-methyl-N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]benzamide (PubChem CID 166926318) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]benzamide
PubChem CID166926318
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name2-methyl-N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]benzamide
SMILESCc1cc(S(=O)(=O)N[C@H](C)C2CCN(C)CC2)ccc1NC(=O)c1ccccc1C
InChIInChI=1S/C23H31N3O3S/c1-16-7-5-6-8-21(16)23(27)24-22-10-9-20(15-17(22)2)30(28,29)25-18(3)19-11-13-26(4)14-12-19/h5-10,15,18-19,25H,11-14H2,1-4H3,(H,24,27)/t18-/m1/s1
InChIKeyPDAOEKSLYKFTKF-GOSISDBHSA-N
XLogP3.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-methyl-N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]benzamide (CID 166926318) is 2-methyl-N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]benzamide is Cc1cc(S(=O)(=O)N[C@H](C)C2CCN(C)CC2)ccc1NC(=O)c1ccccc1C.
What is the InChIKey of 2-methyl-N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]benzamide?
The InChIKey is PDAOEKSLYKFTKF-GOSISDBHSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-16-7-5-6-8-21(16)23(27)24-22-10-9-20(15-17(22)2)30(28,29)25-18(3)19-11-13-26(4)14-12-19/h5-10,15,18-19,25H,11-14H2,1-4H3,(H,24,27)/t18-/m1/s1.
What are the key properties of 2-methyl-N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]benzamide?
2-methyl-N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]benzamide has a molecular weight of 429.59 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 166926318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).