N-(2,5-dimethoxyphenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide

C17H28N4O5S — CID 43061865

IUPACN-(2,5-dimethoxyphenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)N2CCN(S(=O)(=O)N(C)C)CC2)c1
InChIInChI=1S/C17H28N4O5S/c1-13(20-8-10-21(11-9-20)27(23,24)19(2)3)17(22)18-15-12-14(25-4)6-7-16(15)26-5/h6-7,12-13H,8-11H2,1-5H3,(H,18,22)
InChIKeyAUHGCLXTUWFLHE-UHFFFAOYSA-N
MW400.50 g/mol
LogP0.45
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide

N-(2,5-dimethoxyphenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide (PubChem CID 43061865) has the molecular formula C17H28N4O5S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide
PubChem CID43061865
Molecular FormulaC17H28N4O5S
Molecular Weight400.50 g/mol
Exact Mass400.18
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)N2CCN(S(=O)(=O)N(C)C)CC2)c1
InChIInChI=1S/C17H28N4O5S/c1-13(20-8-10-21(11-9-20)27(23,24)19(2)3)17(22)18-15-12-14(25-4)6-7-16(15)26-5/h6-7,12-13H,8-11H2,1-5H3,(H,18,22)
InChIKeyAUHGCLXTUWFLHE-UHFFFAOYSA-N
XLogP0.45
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 16599145
N-[2-(difluoromethoxy)phenyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide
CID 46596245
2-(4-benzoylpiperidin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide
CID 16605888
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(2,5-dimethoxyphenyl)propanamide
CID 60593128
1-[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide
CID 100611671
(2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274960
N-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185486
(2R)-N-(2,5-dimethoxyphenyl)-2-[3,3-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide
CID 95785912
(2S)-N-(2-methoxy-5-nitrophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 41093099
1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55921796
(2R)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8512506
N-(2-methoxy-5-methylphenyl)-2-morpholin-4-ylpropanamide;hydrochloride
CID 2942225

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide (CID 43061865) is N-(2,5-dimethoxyphenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide is COc1ccc(OC)c(NC(=O)C(C)N2CCN(S(=O)(=O)N(C)C)CC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide?
The InChIKey is AUHGCLXTUWFLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O5S/c1-13(20-8-10-21(11-9-20)27(23,24)19(2)3)17(22)18-15-12-14(25-4)6-7-16(15)26-5/h6-7,12-13H,8-11H2,1-5H3,(H,18,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide?
N-(2,5-dimethoxyphenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide has a molecular weight of 400.50 g/mol, XLogP of 0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 43061865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).