2-methoxy-5-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-phenylbenzenesulfonamide

C26H29N3O4S — CID 2981959

IUPAC2-methoxy-5-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-phenylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C26H29N3O4S/c1-21-13-14-24(33-2)25(19-21)34(31,32)29(23-11-7-4-8-12-23)20-26(30)28-17-15-27(16-18-28)22-9-5-3-6-10-22/h3-14,19H,15-18,20H2,1-2H3
InChIKeyUIMGFPHQOQNSMT-UHFFFAOYSA-N
MW479.60 g/mol
LogP3.55
Rot. Bonds7

About 2-methoxy-5-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-phenylbenzenesulfonamide

2-methoxy-5-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-phenylbenzenesulfonamide (PubChem CID 2981959) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-phenylbenzenesulfonamide
PubChem CID2981959
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC Name2-methoxy-5-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-phenylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C26H29N3O4S/c1-21-13-14-24(33-2)25(19-21)34(31,32)29(23-11-7-4-8-12-23)20-26(30)28-17-15-27(16-18-28)22-9-5-3-6-10-22/h3-14,19H,15-18,20H2,1-2H3
InChIKeyUIMGFPHQOQNSMT-UHFFFAOYSA-N
XLogP3.55
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-N-phenylbenzenesulfonamide
CID 126391031
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methoxy-5-methyl-N-phenylbenzenesulfonamide
CID 126390694
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methoxy-5-methyl-N-phenylbenzenesulfonamide
CID 2971614
N-ethyl-2-methoxy-5-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 2990016
N-(2-methoxy-5-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
CID 1148586
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 126397919
2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide
CID 100796017
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-methoxy-5-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 1251467
4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-N-phenylbenzenesulfonamide
CID 30266245
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 2304415
2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide
CID 100796962
N-(4-methoxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 2896526

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-phenylbenzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-phenylbenzenesulfonamide (CID 2981959) is 2-methoxy-5-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-phenylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-methoxy-5-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-phenylbenzenesulfonamide?
The InChIKey is UIMGFPHQOQNSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-21-13-14-24(33-2)25(19-21)34(31,32)29(23-11-7-4-8-12-23)20-26(30)28-17-15-27(16-18-28)22-9-5-3-6-10-22/h3-14,19H,15-18,20H2,1-2H3.
What are the key properties of 2-methoxy-5-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-phenylbenzenesulfonamide?
2-methoxy-5-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-phenylbenzenesulfonamide has a molecular weight of 479.60 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 2981959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).