N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2-methylbenzamide

C20H25N3O3S — CID 29195358

IUPACN-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCN1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O3S/c1-17-7-5-6-10-19(17)20(24)21-11-12-22-13-15-23(16-14-22)27(25,26)18-8-3-2-4-9-18/h2-10H,11-16H2,1H3,(H,21,24)
InChIKeyMEXDERYOCXHILE-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.73
Rot. Bonds6

About N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2-methylbenzamide

N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2-methylbenzamide (PubChem CID 29195358) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2-methylbenzamide
PubChem CID29195358
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCN1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O3S/c1-17-7-5-6-10-19(17)20(24)21-11-12-22-13-15-23(16-14-22)27(25,26)18-8-3-2-4-9-18/h2-10H,11-16H2,1H3,(H,21,24)
InChIKeyMEXDERYOCXHILE-UHFFFAOYSA-N
XLogP1.73
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-methylbenzamide;hydrochloride
CID 18571726
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 29195699
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide
CID 20933690
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(diethylsulfamoyl)benzamide
CID 29195584
2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 18571753
2-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 18571730
2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 18571824
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 29195438
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-bromofuran-2-carboxamide
CID 29195593
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 29195600
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide
CID 29196125
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 18571835

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2-methylbenzamide (CID 29195358) is N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCN1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2-methylbenzamide?
The InChIKey is MEXDERYOCXHILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-17-7-5-6-10-19(17)20(24)21-11-12-22-13-15-23(16-14-22)27(25,26)18-8-3-2-4-9-18/h2-10H,11-16H2,1H3,(H,21,24).
What are the key properties of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2-methylbenzamide?
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2-methylbenzamide has a molecular weight of 387.51 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2-methylbenzamide is sourced from PubChem (CID 29195358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).