N-(2-phenoxyphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide

C27H31N3O4S — CID 71902986

IUPACN-(2-phenoxyphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3Oc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C27H31N3O4S/c1-20-17-21(2)27(22(3)18-20)35(32,33)30-15-13-29(14-16-30)19-26(31)28-24-11-7-8-12-25(24)34-23-9-5-4-6-10-23/h4-12,17-18H,13-16,19H2,1-3H3,(H,28,31)
InChIKeyRCSKFYXTFYVBTK-UHFFFAOYSA-N
MW493.63 g/mol
LogP4.35
Rot. Bonds7

About N-(2-phenoxyphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide

N-(2-phenoxyphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 71902986) has the molecular formula C27H31N3O4S and a molecular weight of 493.63 g/mol. Its IUPAC name is N-(2-phenoxyphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-phenoxyphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID71902986
Molecular FormulaC27H31N3O4S
Molecular Weight493.63 g/mol
Exact Mass493.20
IUPAC NameN-(2-phenoxyphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3Oc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C27H31N3O4S/c1-20-17-21(2)27(22(3)18-20)35(32,33)30-15-13-29(14-16-30)19-26(31)28-24-11-7-8-12-25(24)34-23-9-5-4-6-10-23/h4-12,17-18H,13-16,19H2,1-3H3,(H,28,31)
InChIKeyRCSKFYXTFYVBTK-UHFFFAOYSA-N
XLogP4.35
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-phenoxyphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate
CID 8932102
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 78827991
N-(2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 7026017
N-[(2-chlorophenyl)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 39894799
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 71903893
N-[(4-methoxyphenyl)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 71902983
N-[(2R)-3-methylbutan-2-yl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8553724
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 9391486
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 3241108
N-(2-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 8745789
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-phenoxyphenyl)acetamide
CID 27197068
N-(2-phenoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 9451718

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(2-phenoxyphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 71902986) is N-(2-phenoxyphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-phenoxyphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(2-phenoxyphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide is Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3Oc3ccccc3)CC2)c(C)c1.
What is the InChIKey of N-(2-phenoxyphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is RCSKFYXTFYVBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4S/c1-20-17-21(2)27(22(3)18-20)35(32,33)30-15-13-29(14-16-30)19-26(31)28-24-11-7-8-12-25(24)34-23-9-5-4-6-10-23/h4-12,17-18H,13-16,19H2,1-3H3,(H,28,31).
What are the key properties of N-(2-phenoxyphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-(2-phenoxyphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 493.63 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 71902986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).