N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylsulfonylbenzamide

C18H29N3O3S — CID 110312959

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylsulfonylbenzamide
SMILESCCN1CCN(C(C)(C)CNC(=O)c2cccc(S(C)(=O)=O)c2)CC1
InChIInChI=1S/C18H29N3O3S/c1-5-20-9-11-21(12-10-20)18(2,3)14-19-17(22)15-7-6-8-16(13-15)25(4,23)24/h6-8,13H,5,9-12,14H2,1-4H3,(H,19,22)
InChIKeyFBMQOUDJUKRIEQ-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.24
Rot. Bonds6

About N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylsulfonylbenzamide

N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylsulfonylbenzamide (PubChem CID 110312959) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylsulfonylbenzamide
PubChem CID110312959
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylsulfonylbenzamide
SMILESCCN1CCN(C(C)(C)CNC(=O)c2cccc(S(C)(=O)=O)c2)CC1
InChIInChI=1S/C18H29N3O3S/c1-5-20-9-11-21(12-10-20)18(2,3)14-19-17(22)15-7-6-8-16(13-15)25(4,23)24/h6-8,13H,5,9-12,14H2,1-4H3,(H,19,22)
InChIKeyFBMQOUDJUKRIEQ-UHFFFAOYSA-N
XLogP1.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-2-morpholin-4-ylpropyl)-3-methylsulfonylbenzamide
CID 51163346
3,4-dichloro-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide
CID 112504907
[4-(2,2-dimethylpropyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 110313619
3-(4-ethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide
CID 109062420
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(dimethylsulfamoyl)benzamide
CID 17436533
N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-methylsulfonylbenzamide
CID 60621661
3-(cyclopropylsulfamoyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
CID 29299625
N-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 69170249
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropanamide
CID 112504915
3-(chloromethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 61251148
3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide
CID 110414094

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylsulfonylbenzamide (CID 110312959) is N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylsulfonylbenzamide is CCN1CCN(C(C)(C)CNC(=O)c2cccc(S(C)(=O)=O)c2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylsulfonylbenzamide?
The InChIKey is FBMQOUDJUKRIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-5-20-9-11-21(12-10-20)18(2,3)14-19-17(22)15-7-6-8-16(13-15)25(4,23)24/h6-8,13H,5,9-12,14H2,1-4H3,(H,19,22).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylsulfonylbenzamide?
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylsulfonylbenzamide has a molecular weight of 367.52 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 110312959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).