N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylmethanesulfonamide

C20H25N3O4S — CID 646824

IUPACN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylmethanesulfonamide
SMILESCOc1ccc(N2CCN(C(=O)CN(c3ccccc3)S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C20H25N3O4S/c1-27-19-10-8-17(9-11-19)21-12-14-22(15-13-21)20(24)16-23(28(2,25)26)18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3
InChIKeyKBTZITVGBXALPZ-UHFFFAOYSA-N
MW403.50 g/mol
LogP1.81
Rot. Bonds6

About N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylmethanesulfonamide

N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylmethanesulfonamide (PubChem CID 646824) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylmethanesulfonamide
PubChem CID646824
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylmethanesulfonamide
SMILESCOc1ccc(N2CCN(C(=O)CN(c3ccccc3)S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C20H25N3O4S/c1-27-19-10-8-17(9-11-19)21-12-14-22(15-13-21)20(24)16-23(28(2,25)26)18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3
InChIKeyKBTZITVGBXALPZ-UHFFFAOYSA-N
XLogP1.81
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylmethanesulfonamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylmethanesulfonamide (CID 646824) is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylmethanesulfonamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylmethanesulfonamide is COc1ccc(N2CCN(C(=O)CN(c3ccccc3)S(C)(=O)=O)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylmethanesulfonamide?
The InChIKey is KBTZITVGBXALPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-27-19-10-8-17(9-11-19)21-12-14-22(15-13-21)20(24)16-23(28(2,25)26)18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3.
What are the key properties of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylmethanesulfonamide?
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylmethanesulfonamide has a molecular weight of 403.50 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylmethanesulfonamide is sourced from PubChem (CID 646824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).