N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide

C21H25N3O5S — CID 55850341

IUPACN-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1N(CC(=O)N1CCN(C(=O)c2ccccc2O)CC1)S(C)(=O)=O
InChIInChI=1S/C21H25N3O5S/c1-16-7-3-5-9-18(16)24(30(2,28)29)15-20(26)22-11-13-23(14-12-22)21(27)17-8-4-6-10-19(17)25/h3-10,25H,11-15H2,1-2H3
InChIKeyNHFYIIMQSCOLGJ-UHFFFAOYSA-N
MW431.51 g/mol
LogP1.45
Rot. Bonds5

About N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide

N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide (PubChem CID 55850341) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide
PubChem CID55850341
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC NameN-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1N(CC(=O)N1CCN(C(=O)c2ccccc2O)CC1)S(C)(=O)=O
InChIInChI=1S/C21H25N3O5S/c1-16-7-3-5-9-18(16)24(30(2,28)29)15-20(26)22-11-13-23(14-12-22)21(27)17-8-4-6-10-19(17)25/h3-10,25H,11-15H2,1-2H3
InChIKeyNHFYIIMQSCOLGJ-UHFFFAOYSA-N
XLogP1.45
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide
CID 30855292
N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide
CID 6957245
methyl 2-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155867
N-[1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46480284
4-methyl-N-(2-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1143165
N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylphenyl)methanesulfonamide
CID 113141610
ethyl 4-[2-(2-ethyl-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
CID 1148753
N-(3-chloro-2-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 846774
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-propan-2-yloxyphenyl)methanesulfonamide
CID 113155338
N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
CID 1137013
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide
CID 30262751
ethyl 1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidine-3-carboxylate
CID 46418830

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide (CID 55850341) is N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide is Cc1ccccc1N(CC(=O)N1CCN(C(=O)c2ccccc2O)CC1)S(C)(=O)=O.
What is the InChIKey of N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide?
The InChIKey is NHFYIIMQSCOLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-16-7-3-5-9-18(16)24(30(2,28)29)15-20(26)22-11-13-23(14-12-22)21(27)17-8-4-6-10-19(17)25/h3-10,25H,11-15H2,1-2H3.
What are the key properties of N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide?
N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide has a molecular weight of 431.51 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 55850341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).