N-tert-butyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide

C19H31N3O3S — CID 51242936

IUPACN-tert-butyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(C)C(=O)NC(C)(C)C)CC2)c1
InChIInChI=1S/C19H31N3O3S/c1-14-7-8-15(2)17(13-14)26(24,25)22-11-9-21(10-12-22)16(3)18(23)20-19(4,5)6/h7-8,13,16H,9-12H2,1-6H3,(H,20,23)
InChIKeyQSNOSPURFDTFQI-UHFFFAOYSA-N
MW381.54 g/mol
LogP1.91
Rot. Bonds4

About N-tert-butyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide

N-tert-butyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 51242936) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID51242936
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC NameN-tert-butyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(C)C(=O)NC(C)(C)C)CC2)c1
InChIInChI=1S/C19H31N3O3S/c1-14-7-8-15(2)17(13-14)26(24,25)22-11-9-21(10-12-22)16(3)18(23)20-19(4,5)6/h7-8,13,16H,9-12H2,1-6H3,(H,20,23)
InChIKeyQSNOSPURFDTFQI-UHFFFAOYSA-N
XLogP1.91
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,5-dimethylphenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 9494294
N-(tert-butylcarbamoyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 24680027
(2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 2655742
(2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 11932663
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 46674705
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 45354437
N-tert-butyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide
CID 17457260
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 55526128
N-cyclopropyl-2-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 46457701
(2R)-N-tert-butyl-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
CID 9493066
1-tert-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113074855
methyl 4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818496

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of N-tert-butyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide (CID 51242936) is N-tert-butyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-tert-butyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for N-tert-butyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide is Cc1ccc(C)c(S(=O)(=O)N2CCN(C(C)C(=O)NC(C)(C)C)CC2)c1.
What is the InChIKey of N-tert-butyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is QSNOSPURFDTFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-14-7-8-15(2)17(13-14)26(24,25)22-11-9-21(10-12-22)16(3)18(23)20-19(4,5)6/h7-8,13,16H,9-12H2,1-6H3,(H,20,23).
What are the key properties of N-tert-butyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide?
N-tert-butyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 381.54 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 51242936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).