4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide

C16H25N3O3S — CID 9266280

IUPAC4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-13(2)12-17-16(20)18-8-10-19(11-9-18)23(21,22)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3,(H,17,20)
InChIKeyCYMAYBGYQHSJEL-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.67
Rot. Bonds4

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

4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide (PubChem CID 9266280) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
PubChem CID9266280
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-13(2)12-17-16(20)18-8-10-19(11-9-18)23(21,22)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3,(H,17,20)
InChIKeyCYMAYBGYQHSJEL-UHFFFAOYSA-N
XLogP1.67
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 27534466
N-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110811075
4-(3-bromophenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 27534495
N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide
CID 23849761
N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 23767591
3-methylbutyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]azanium
CID 7407226
4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104047
2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 16769203
4-(benzenesulfonyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide
CID 108893148
1-acetyl-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-2-carboxamide
CID 23848938
N-[(3-fluorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 108898628
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 122561933

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide (CID 9266280) is 4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide is Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC(C)C)CC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is CYMAYBGYQHSJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-13(2)12-17-16(20)18-8-10-19(11-9-18)23(21,22)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3,(H,17,20).
What are the key properties of 4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide?
4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 9266280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).