2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide

C23H31N3O3S — CID 8758111

IUPAC2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)N(c3ccccc3)C(C)C)CC2)cc1C
InChIInChI=1S/C23H31N3O3S/c1-18(2)26(21-8-6-5-7-9-21)23(27)17-24-12-14-25(15-13-24)30(28,29)22-11-10-19(3)20(4)16-22/h5-11,16,18H,12-15,17H2,1-4H3
InChIKeyLFAFTBPOFIYGAQ-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.05
Rot. Bonds6

About 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide

2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 8758111) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
PubChem CID8758111
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)N(c3ccccc3)C(C)C)CC2)cc1C
InChIInChI=1S/C23H31N3O3S/c1-18(2)26(21-8-6-5-7-9-21)23(27)17-24-12-14-25(15-13-24)30(28,29)22-11-10-19(3)20(4)16-22/h5-11,16,18H,12-15,17H2,1-4H3
InChIKeyLFAFTBPOFIYGAQ-UHFFFAOYSA-N
XLogP3.05
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8758132
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 38079687
3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylpropan-1-one
CID 110398655
N-[(2R)-butan-2-yl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8758170
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8758014
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 8758035
ethyl N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 8758031
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 71903893
(2S)-2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide
CID 8691416
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55831338
1-(3,4-dimethylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 19683006
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide
CID 55351317

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide (CID 8758111) is 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide is Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N(c3ccccc3)C(C)C)CC2)cc1C.
What is the InChIKey of 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is LFAFTBPOFIYGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-18(2)26(21-8-6-5-7-9-21)23(27)17-24-12-14-25(15-13-24)30(28,29)22-11-10-19(3)20(4)16-22/h5-11,16,18H,12-15,17H2,1-4H3.
What are the key properties of 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide?
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 429.59 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 8758111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).