4-(4-methylphenyl)sulfonyl-N-[(E)-2,3,3-trimethylbut-1-enyl]piperazine-1-carboxamide

C19H29N3O3S — CID 108915281

IUPAC4-(4-methylphenyl)sulfonyl-N-[(E)-2,3,3-trimethylbut-1-enyl]piperazine-1-carboxamide
SMILESC/C(=C\NC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(C)(C)C
InChIInChI=1S/C19H29N3O3S/c1-15-6-8-17(9-7-15)26(24,25)22-12-10-21(11-13-22)18(23)20-14-16(2)19(3,4)5/h6-9,14H,10-13H2,1-5H3,(H,20,23)/b16-14+
InChIKeyRAAPAQQCKYNPQF-JQIJEIRASA-N
MW379.53 g/mol
LogP2.96
Rot. Bonds3

About 4-(4-methylphenyl)sulfonyl-N-[(E)-2,3,3-trimethylbut-1-enyl]piperazine-1-carboxamide

4-(4-methylphenyl)sulfonyl-N-[(E)-2,3,3-trimethylbut-1-enyl]piperazine-1-carboxamide (PubChem CID 108915281) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-N-[(E)-2,3,3-trimethylbut-1-enyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-N-[(E)-2,3,3-trimethylbut-1-enyl]piperazine-1-carboxamide
PubChem CID108915281
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name4-(4-methylphenyl)sulfonyl-N-[(E)-2,3,3-trimethylbut-1-enyl]piperazine-1-carboxamide
SMILESC/C(=C\NC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(C)(C)C
InChIInChI=1S/C19H29N3O3S/c1-15-6-8-17(9-7-15)26(24,25)22-12-10-21(11-13-22)18(23)20-14-16(2)19(3,4)5/h6-9,14H,10-13H2,1-5H3,(H,20,23)/b16-14+
InChIKeyRAAPAQQCKYNPQF-JQIJEIRASA-N
XLogP2.96
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110811075
N-[(E)-2-cyclopentylethenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 108911979
3,3-dimethyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 2106955
N-[(E)-2-(2-chlorophenyl)ethenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 108904919
3,3-dimethyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-one
CID 110709795
4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 9266280
4-(benzenesulfonyl)-N-[(E)-2-cyclopropylprop-1-enyl]piperazine-1-carboxamide
CID 108915653
N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide
CID 23849761
N-tert-butyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carboxamide
CID 110811078
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 849899
N-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 17299399
2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 16769203

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-N-[(E)-2,3,3-trimethylbut-1-enyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-N-[(E)-2,3,3-trimethylbut-1-enyl]piperazine-1-carboxamide (CID 108915281) is 4-(4-methylphenyl)sulfonyl-N-[(E)-2,3,3-trimethylbut-1-enyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-N-[(E)-2,3,3-trimethylbut-1-enyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-N-[(E)-2,3,3-trimethylbut-1-enyl]piperazine-1-carboxamide is C/C(=C\NC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(C)(C)C.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-N-[(E)-2,3,3-trimethylbut-1-enyl]piperazine-1-carboxamide?
The InChIKey is RAAPAQQCKYNPQF-JQIJEIRASA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-15-6-8-17(9-7-15)26(24,25)22-12-10-21(11-13-22)18(23)20-14-16(2)19(3,4)5/h6-9,14H,10-13H2,1-5H3,(H,20,23)/b16-14+.
What are the key properties of 4-(4-methylphenyl)sulfonyl-N-[(E)-2,3,3-trimethylbut-1-enyl]piperazine-1-carboxamide?
4-(4-methylphenyl)sulfonyl-N-[(E)-2,3,3-trimethylbut-1-enyl]piperazine-1-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 2.96, 3 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-[(E)-2,3,3-trimethylbut-1-enyl]piperazine-1-carboxamide is sourced from PubChem (CID 108915281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).