2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide

C20H25N3O3S — CID 6467813

IUPAC2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-16-5-3-4-6-17(16)15-20(24)21-18-7-9-19(10-8-18)27(25,26)23-13-11-22(2)12-14-23/h3-10H,11-15H2,1-2H3,(H,21,24)
InChIKeyVZWNIBZTBNWFNM-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.11
Rot. Bonds5

About 2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide

2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide (PubChem CID 6467813) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
PubChem CID6467813
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-16-5-3-4-6-17(16)15-20(24)21-18-7-9-19(10-8-18)27(25,26)23-13-11-22(2)12-14-23/h3-10H,11-15H2,1-2H3,(H,21,24)
InChIKeyVZWNIBZTBNWFNM-UHFFFAOYSA-N
XLogP2.11
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 4547230
2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 729977
N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3656150
N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7066682
N-(4-(Aminosulfonyl)phenyl)-4-tert-butylbenzamide
CID 315810
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
N,N-diethyl-6-oxo-5,6-dihydrophenanthridine-2-sulfonamide
CID 6324455
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}-3-phenylpropanamide
CID 2812928
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
N-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]acetamide
CID 720097

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide (CID 6467813) is 2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide is Cc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is VZWNIBZTBNWFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-16-5-3-4-6-17(16)15-20(24)21-18-7-9-19(10-8-18)27(25,26)23-13-11-22(2)12-14-23/h3-10H,11-15H2,1-2H3,(H,21,24).
What are the key properties of 2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 387.51 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 6467813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).