2-methyl-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]benzamide

C24H32N4O3S — CID 4883838

IUPAC2-methyl-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1
InChIInChI=1S/C24H32N4O3S/c1-19-8-4-5-9-21(19)24(29)25-22-18-20(32(30,31)28-12-6-3-7-13-28)10-11-23(22)27-16-14-26(2)15-17-27/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3,(H,25,29)
InChIKeyJXAVSSZQZGQZEJ-UHFFFAOYSA-N
MW456.61 g/mol
LogP3.17
Rot. Bonds5

About 2-methyl-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]benzamide

2-methyl-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]benzamide (PubChem CID 4883838) has the molecular formula C24H32N4O3S and a molecular weight of 456.61 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]benzamide
PubChem CID4883838
Molecular FormulaC24H32N4O3S
Molecular Weight456.61 g/mol
Exact Mass456.22
IUPAC Name2-methyl-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1
InChIInChI=1S/C24H32N4O3S/c1-19-8-4-5-9-21(19)24(29)25-22-18-20(32(30,31)28-12-6-3-7-13-28)10-11-23(22)27-16-14-26(2)15-17-27/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3,(H,25,29)
InChIKeyJXAVSSZQZGQZEJ-UHFFFAOYSA-N
XLogP3.17
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 2279440
N-[4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-1,4-dioxonaphthalen-2-yl]sulfamoyl]phenyl]acetamide
CID 4261850
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
3-fluoro-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 6457724
4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]-N-phenylbenzamide
CID 6461347
N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 16318701
N-[4-[[3-(4-methylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]sulfamoyl]phenyl]acetamide
CID 3249350
4-[(4-methyl-1-piperazinyl)sulfonyl]-N-phenylbenzamide
CID 1262873
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide
CID 2211281
N-[4-[[3-(4-benzylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]sulfamoyl]phenyl]acetamide
CID 3799497
3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)benzamide
CID 16282216
5,6-Dihydro-N-[2-(1-piperidinyl)ethyl]-6-oxo-2-phenanthridinesulfonamide hydrogen chloride
CID 45264345

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]benzamide?
The IUPAC name of 2-methyl-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]benzamide (CID 4883838) is 2-methyl-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]benzamide is Cc1ccccc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1.
What is the InChIKey of 2-methyl-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]benzamide?
The InChIKey is JXAVSSZQZGQZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S/c1-19-8-4-5-9-21(19)24(29)25-22-18-20(32(30,31)28-12-6-3-7-13-28)10-11-23(22)27-16-14-26(2)15-17-27/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3,(H,25,29).
What are the key properties of 2-methyl-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]benzamide?
2-methyl-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]benzamide has a molecular weight of 456.61 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]benzamide is sourced from PubChem (CID 4883838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).