N-[4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide

C20H23N3O5S — CID 2494638

IUPACN-[4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(NC(C)=O)cc3)CC2)cc1
InChIInChI=1S/C20H23N3O5S/c1-15(24)21-17-5-3-16(4-6-17)20(25)22-11-13-23(14-12-22)29(26,27)19-9-7-18(28-2)8-10-19/h3-10H,11-14H2,1-2H3,(H,21,24)
InChIKeyZXPMMUPSYGQMGW-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.80
Rot. Bonds5

About N-[4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide

N-[4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide (PubChem CID 2494638) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
PubChem CID2494638
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN-[4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(NC(C)=O)cc3)CC2)cc1
InChIInChI=1S/C20H23N3O5S/c1-15(24)21-17-5-3-16(4-6-17)20(25)22-11-13-23(14-12-22)29(26,27)19-9-7-18(28-2)8-10-19/h3-10H,11-14H2,1-2H3,(H,21,24)
InChIKeyZXPMMUPSYGQMGW-UHFFFAOYSA-N
XLogP1.80
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide (CID 2494638) is N-[4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide is COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(NC(C)=O)cc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide?
The InChIKey is ZXPMMUPSYGQMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-15(24)21-17-5-3-16(4-6-17)20(25)22-11-13-23(14-12-22)29(26,27)19-9-7-18(28-2)8-10-19/h3-10H,11-14H2,1-2H3,(H,21,24).
What are the key properties of N-[4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide?
N-[4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide has a molecular weight of 417.49 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 2494638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).