2,2-dimethyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide

C17H27N3O3S — CID 56921230

IUPAC2,2-dimethyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
SMILESCc1ccc(NC(=O)C(C)(C)C)cc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C17H27N3O3S/c1-13-6-7-14(18-16(21)17(2,3)4)12-15(13)24(22,23)20-10-8-19(5)9-11-20/h6-7,12H,8-11H2,1-5H3,(H,18,21)
InChIKeyHRCAKRQGELZZHS-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.92
Rot. Bonds3

About 2,2-dimethyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide

2,2-dimethyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide (PubChem CID 56921230) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
PubChem CID56921230
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name2,2-dimethyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
SMILESCc1ccc(NC(=O)C(C)(C)C)cc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C17H27N3O3S/c1-13-6-7-14(18-16(21)17(2,3)4)12-15(13)24(22,23)20-10-8-19(5)9-11-20/h6-7,12H,8-11H2,1-5H3,(H,18,21)
InChIKeyHRCAKRQGELZZHS-UHFFFAOYSA-N
XLogP1.92
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705854
1-(3-methoxyphenyl)-3-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]urea
CID 100746610
3-fluoro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 56922332
5-bromo-2-chloro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 100537160
1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 50875261
N-(3-chloro-4-fluorophenyl)-4-methyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968694
(3S)-1-(benzenesulfonyl)-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]piperidine-3-carboxamide
CID 100662005
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
CID 4578456
N-[5-[[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100714608

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide (CID 56921230) is 2,2-dimethyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide is Cc1ccc(NC(=O)C(C)(C)C)cc1S(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of 2,2-dimethyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
The InChIKey is HRCAKRQGELZZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-13-6-7-14(18-16(21)17(2,3)4)12-15(13)24(22,23)20-10-8-19(5)9-11-20/h6-7,12H,8-11H2,1-5H3,(H,18,21).
What are the key properties of 2,2-dimethyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
2,2-dimethyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide has a molecular weight of 353.49 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide is sourced from PubChem (CID 56921230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).