4-methoxy-N,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide

C16H25N3O4S — CID 1243945

IUPAC4-methoxy-N,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C)CC2)cc1C
InChIInChI=1S/C16H25N3O4S/c1-13-11-14(5-6-15(13)23-4)24(21,22)18(3)12-16(20)19-9-7-17(2)8-10-19/h5-6,11H,7-10,12H2,1-4H3
InChIKeyVIJNCAIKACQDKA-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.40
Rot. Bonds5

About 4-methoxy-N,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide

4-methoxy-N,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 1243945) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-methoxy-N,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID1243945
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name4-methoxy-N,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C)CC2)cc1C
InChIInChI=1S/C16H25N3O4S/c1-13-11-14(5-6-15(13)23-4)24(21,22)18(3)12-16(20)19-9-7-17(2)8-10-19/h5-6,11H,7-10,12H2,1-4H3
InChIKeyVIJNCAIKACQDKA-UHFFFAOYSA-N
XLogP0.40
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-Methoxyphenyl)sulfonylpiperazin-1-yl]-3-methylbutan-1-one
CID 717180
Cyclohexyl-[4-(4-methoxy-benzenesulfonyl)-piperazin-1-yl]-methanone
CID 1078633
4-methoxy-3-methyl-N-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]benzenesulfonamide
CID 6463582
1-[(4-Methoxy-3-methylphenyl)sulfonyl]-4-methylpiperazine
CID 847009
2-(4-methoxy-N-phenethylphenylsulfonamido)acetamide
CID 740852
1-Ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 701306
1-[(4-Methoxy-2,5-dimethylphenyl)sulfonyl]-4-methylpiperazine
CID 801474
1-{N-[(4-methoxyphenyl)sulfonyl]-N-methylglycyl}piperidine-4-carboxamide
CID 982331
4-methoxy-N-[2-(4-morpholinyl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide
CID 1092325
Ethyl 4-{[4-(2-methoxy-2-oxoethoxy)-3-methylphenyl]sulfonyl}-1-piperazinecarboxylate
CID 1092930
N-cyclopropyl-1-[(4-methoxy-3-methylphenyl)sulfonyl]-4-piperidinecarboxamide
CID 1093382
1-[2-[(2-Methoxy-5-methylphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide
CID 1095809

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide (CID 1243945) is 4-methoxy-N,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C)CC2)cc1C.
What is the InChIKey of 4-methoxy-N,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is VIJNCAIKACQDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-13-11-14(5-6-15(13)23-4)24(21,22)18(3)12-16(20)19-9-7-17(2)8-10-19/h5-6,11H,7-10,12H2,1-4H3.
What are the key properties of 4-methoxy-N,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
4-methoxy-N,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 0.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 1243945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).