N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide

C20H25N3O3S — CID 1147635

IUPACN-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-15-5-4-6-20(16(15)2)22-11-13-23(14-12-22)27(25,26)19-9-7-18(8-10-19)21-17(3)24/h4-10H,11-14H2,1-3H3,(H,21,24)
InChIKeyRRDFNYQGQXQDCH-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.77
Rot. Bonds4

About N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 1147635) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID1147635
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-15-5-4-6-20(16(15)2)22-11-13-23(14-12-22)27(25,26)19-9-7-18(8-10-19)21-17(3)24/h4-10H,11-14H2,1-3H3,(H,21,24)
InChIKeyRRDFNYQGQXQDCH-UHFFFAOYSA-N
XLogP2.77
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 1147635) is N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1.
What is the InChIKey of N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is RRDFNYQGQXQDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-15-5-4-6-20(16(15)2)22-11-13-23(14-12-22)27(25,26)19-9-7-18(8-10-19)21-17(3)24/h4-10H,11-14H2,1-3H3,(H,21,24).
What are the key properties of N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 387.51 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 1147635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).