N-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide

C16H25N3O5S — CID 1085637

IUPACN-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCOc1ccc(N(CC(=O)N2CCN(C)CC2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C16H25N3O5S/c1-17-7-9-18(10-8-17)16(20)12-19(25(4,21)22)13-5-6-14(23-2)15(11-13)24-3/h5-6,11H,7-10,12H2,1-4H3
InChIKeyODPJABBPHXMNPH-UHFFFAOYSA-N
MW371.46 g/mol
LogP0.24
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide

N-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide (PubChem CID 1085637) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
PubChem CID1085637
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC NameN-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCOc1ccc(N(CC(=O)N2CCN(C)CC2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C16H25N3O5S/c1-17-7-9-18(10-8-17)16(20)12-19(25(4,21)22)13-5-6-14(23-2)15(11-13)24-3/h5-6,11H,7-10,12H2,1-4H3
InChIKeyODPJABBPHXMNPH-UHFFFAOYSA-N
XLogP0.24
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113174831
methyl 4-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156021
N-(3,4-dimethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 764239
N-(3-chloro-4-methoxyphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 1163693
N-(3,4-dichlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 1334829
N-[(2R)-butan-2-yl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 2271520
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3-chloro-4-methoxyphenyl)methanesulfonamide
CID 51342943
N-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113157066
N-(1,3-benzodioxol-5-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 6488919
N-(4-chlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 1145292
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 30221065
methyl 2-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155867

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide (CID 1085637) is N-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide is COc1ccc(N(CC(=O)N2CCN(C)CC2)S(C)(=O)=O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The InChIKey is ODPJABBPHXMNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-17-7-9-18(10-8-17)16(20)12-19(25(4,21)22)13-5-6-14(23-2)15(11-13)24-3/h5-6,11H,7-10,12H2,1-4H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
N-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 0.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 1085637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).