N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]acetamide

C24H30ClN3O4S — CID 42725164

IUPACN-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]acetamide
SMILESCOc1ccccc1/C=C/CN(CCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(C)=O
InChIInChI=1S/C24H30ClN3O4S/c1-20(29)27(13-5-7-21-6-3-4-8-24(21)32-2)17-14-26-15-18-28(19-16-26)33(30,31)23-11-9-22(25)10-12-23/h3-12H,13-19H2,1-2H3/b7-5+
InChIKeyGFCBZIKZJCIZMK-FNORWQNLSA-N
MW492.04 g/mol
LogP3.22
Rot. Bonds9

About N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]acetamide

N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]acetamide (PubChem CID 42725164) has the molecular formula C24H30ClN3O4S and a molecular weight of 492.04 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]acetamide
PubChem CID42725164
Molecular FormulaC24H30ClN3O4S
Molecular Weight492.04 g/mol
Exact Mass491.16
IUPAC NameN-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]acetamide
SMILESCOc1ccccc1/C=C/CN(CCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(C)=O
InChIInChI=1S/C24H30ClN3O4S/c1-20(29)27(13-5-7-21-6-3-4-8-24(21)32-2)17-14-26-15-18-28(19-16-26)33(30,31)23-11-9-22(25)10-12-23/h3-12H,13-19H2,1-2H3/b7-5+
InChIKeyGFCBZIKZJCIZMK-FNORWQNLSA-N
XLogP3.22
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.04
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 1061522
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-N-[3-(2-methoxyphenyl)prop-2-enyl]hexanamide
CID 3568708
N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]cyclohexanecarboxamide
CID 42725327
4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 42723964
4-[2-[butanoyl-[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]ethyl]-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 42710391
3-chloro-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(2-phenylsulfanylacetyl)piperazin-1-yl]ethyl]benzamide
CID 42725239
N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]butanamide
CID 42725378
3-chloro-N-[3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(4-pentylbenzoyl)piperazin-1-yl]ethyl]benzamide
CID 3984910
ethyl 4-[4-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-(4-methylbenzoyl)amino]ethyl]piperazin-1-yl]-4-oxobutanoate
CID 42725350
N-tert-butyl-4-[2-[(4-methoxybenzoyl)-[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]ethyl]piperazine-1-carboxamide
CID 42710864
N-[2-[4-(3-bromobenzoyl)piperazin-1-yl]ethyl]-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]butanamide
CID 42725393
N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylbutanamide
CID 42725361

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]acetamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]acetamide (CID 42725164) is N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]acetamide is COc1ccccc1/C=C/CN(CCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(C)=O.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]acetamide?
The InChIKey is GFCBZIKZJCIZMK-FNORWQNLSA-N. The full InChI is InChI=1S/C24H30ClN3O4S/c1-20(29)27(13-5-7-21-6-3-4-8-24(21)32-2)17-14-26-15-18-28(19-16-26)33(30,31)23-11-9-22(25)10-12-23/h3-12H,13-19H2,1-2H3/b7-5+.
What are the key properties of N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]acetamide?
N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]acetamide has a molecular weight of 492.04 g/mol, XLogP of 3.22, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 42725164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).