N-[(E)-2-(3-methylphenyl)ethenyl]-4-methylsulfonylpiperazine-1-carboxamide

C15H21N3O3S — CID 108905663

IUPACN-[(E)-2-(3-methylphenyl)ethenyl]-4-methylsulfonylpiperazine-1-carboxamide
SMILESCc1cccc(/C=C/NC(=O)N2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C15H21N3O3S/c1-13-4-3-5-14(12-13)6-7-16-15(19)17-8-10-18(11-9-17)22(2,20)21/h3-7,12H,8-11H2,1-2H3,(H,16,19)/b7-6+
InChIKeyDJQHUHJFFSGDGF-VOTSOKGWSA-N
MW323.42 g/mol
LogP1.25
Rot. Bonds3

About N-[(E)-2-(3-methylphenyl)ethenyl]-4-methylsulfonylpiperazine-1-carboxamide

N-[(E)-2-(3-methylphenyl)ethenyl]-4-methylsulfonylpiperazine-1-carboxamide (PubChem CID 108905663) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[(E)-2-(3-methylphenyl)ethenyl]-4-methylsulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-(3-methylphenyl)ethenyl]-4-methylsulfonylpiperazine-1-carboxamide
PubChem CID108905663
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-[(E)-2-(3-methylphenyl)ethenyl]-4-methylsulfonylpiperazine-1-carboxamide
SMILESCc1cccc(/C=C/NC(=O)N2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C15H21N3O3S/c1-13-4-3-5-14(12-13)6-7-16-15(19)17-8-10-18(11-9-17)22(2,20)21/h3-7,12H,8-11H2,1-2H3,(H,16,19)/b7-6+
InChIKeyDJQHUHJFFSGDGF-VOTSOKGWSA-N
XLogP1.25
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(E)-2-(3-methylphenyl)ethenyl]piperazine-1-carboxamide
CID 108905426
N-[(E)-2-(3-methylphenyl)ethenyl]azepane-1-carboxamide
CID 108905455
methyl 4-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoyl]piperazine-1-carboxylate
CID 108906785
(E)-1-(4-methylsulfonylpiperazin-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 39688380
(E)-3-(2,4-dimethylphenyl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one
CID 51305566
1-[(E)-2-(3-methylphenyl)ethenyl]-3-(4-piperidin-1-ylphenyl)urea
CID 108905514
4-acetyl-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide
CID 108908348
4-(2,3-dimethylphenyl)-N-[(E)-2-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide
CID 108905964
N-[(E)-2-(2-chlorophenyl)ethenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 108904919
4-(benzenesulfonyl)-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide
CID 108908640
1-butan-2-yl-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905352
3-(3-methylphenyl)-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 85457947

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(3-methylphenyl)ethenyl]-4-methylsulfonylpiperazine-1-carboxamide?
The IUPAC name of N-[(E)-2-(3-methylphenyl)ethenyl]-4-methylsulfonylpiperazine-1-carboxamide (CID 108905663) is N-[(E)-2-(3-methylphenyl)ethenyl]-4-methylsulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(E)-2-(3-methylphenyl)ethenyl]-4-methylsulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-[(E)-2-(3-methylphenyl)ethenyl]-4-methylsulfonylpiperazine-1-carboxamide is Cc1cccc(/C=C/NC(=O)N2CCN(S(C)(=O)=O)CC2)c1.
What is the InChIKey of N-[(E)-2-(3-methylphenyl)ethenyl]-4-methylsulfonylpiperazine-1-carboxamide?
The InChIKey is DJQHUHJFFSGDGF-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-13-4-3-5-14(12-13)6-7-16-15(19)17-8-10-18(11-9-17)22(2,20)21/h3-7,12H,8-11H2,1-2H3,(H,16,19)/b7-6+.
What are the key properties of N-[(E)-2-(3-methylphenyl)ethenyl]-4-methylsulfonylpiperazine-1-carboxamide?
N-[(E)-2-(3-methylphenyl)ethenyl]-4-methylsulfonylpiperazine-1-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(3-methylphenyl)ethenyl]-4-methylsulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 108905663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).