4-methyl-N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide

C18H29N3O3S — CID 50821035

IUPAC4-methyl-N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide
SMILESCc1ccc(C(=O)N(CCS(=O)(=O)N2CCNCC2)CC(C)C)cc1
InChIInChI=1S/C18H29N3O3S/c1-15(2)14-20(18(22)17-6-4-16(3)5-7-17)12-13-25(23,24)21-10-8-19-9-11-21/h4-7,15,19H,8-14H2,1-3H3
InChIKeySRGUHZNOFLATCG-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.33
Rot. Bonds7

About 4-methyl-N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide

4-methyl-N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide (PubChem CID 50821035) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide
PubChem CID50821035
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name4-methyl-N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide
SMILESCc1ccc(C(=O)N(CCS(=O)(=O)N2CCNCC2)CC(C)C)cc1
InChIInChI=1S/C18H29N3O3S/c1-15(2)14-20(18(22)17-6-4-16(3)5-7-17)12-13-25(23,24)21-10-8-19-9-11-21/h4-7,15,19H,8-14H2,1-3H3
InChIKeySRGUHZNOFLATCG-UHFFFAOYSA-N
XLogP1.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 50820985
N-(3-methylbutyl)-2-(4-methylphenyl)-N-(2-piperazin-1-ylsulfonylethyl)acetamide
CID 50819080
N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide
CID 50821050
N-cyclopropyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 50819158
4-chloro-N-[(2S)-2-phenylpropyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 94090789
3-methyl-N-(2-piperazin-1-ylsulfonylethyl)-N-propan-2-ylbenzamide
CID 50819223
2,5-dimethyl-N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
CID 20971432
N-cyclopentyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146061526
2-chloro-N-[(2S)-2-phenylpropyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 94090765
N-ethyl-3-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146061588
4-chloro-N-(2-piperazin-1-ylsulfonylethyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 50820945
3-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-4-piperazin-1-ylbenzamide
CID 46333292

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
The IUPAC name of 4-methyl-N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide (CID 50821035) is 4-methyl-N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide.
What is the SMILES notation for 4-methyl-N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
The canonical SMILES for 4-methyl-N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide is Cc1ccc(C(=O)N(CCS(=O)(=O)N2CCNCC2)CC(C)C)cc1.
What is the InChIKey of 4-methyl-N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
The InChIKey is SRGUHZNOFLATCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-15(2)14-20(18(22)17-6-4-16(3)5-7-17)12-13-25(23,24)21-10-8-19-9-11-21/h4-7,15,19H,8-14H2,1-3H3.
What are the key properties of 4-methyl-N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
4-methyl-N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide has a molecular weight of 367.52 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide is sourced from PubChem (CID 50821035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).