4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide

C17H27N3O3S — CID 27534466

IUPAC4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)NCC(C)C)CC2)c(C)c1
InChIInChI=1S/C17H27N3O3S/c1-13(2)12-18-17(21)19-7-9-20(10-8-19)24(22,23)16-6-5-14(3)11-15(16)4/h5-6,11,13H,7-10,12H2,1-4H3,(H,18,21)
InChIKeyHLQHOXMNLHJTJR-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.98
Rot. Bonds4

About 4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide

4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide (PubChem CID 27534466) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
PubChem CID27534466
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)NCC(C)C)CC2)c(C)c1
InChIInChI=1S/C17H27N3O3S/c1-13(2)12-18-17(21)19-7-9-20(10-8-19)24(22,23)16-6-5-14(3)11-15(16)4/h5-6,11,13H,7-10,12H2,1-4H3,(H,18,21)
InChIKeyHLQHOXMNLHJTJR-UHFFFAOYSA-N
XLogP1.98
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 9266280
4-(2,4-dimethylphenyl)sulfonyl-N-propyl-1,4-diazepane-1-carboxamide
CID 110811964
4-(2,4-dimethylphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 9207906
methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818495
4-(2,5-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 6465159
4-(2,5-dimethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104070
4-(2,4-dimethylphenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperazine-1-carboxamide
CID 38336408
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113104079
4-(4-fluoro-2-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 110811098
4-(3-bromophenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 27534495
4-(2,4-dimethylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 55696343

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide (CID 27534466) is 4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide is Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC(C)C)CC2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is HLQHOXMNLHJTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-13(2)12-18-17(21)19-7-9-20(10-8-19)24(22,23)16-6-5-14(3)11-15(16)4/h5-6,11,13H,7-10,12H2,1-4H3,(H,18,21).
What are the key properties of 4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide?
4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 27534466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).