2-methoxy-N,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide

C16H25N3O4S — CID 1095811

IUPAC2-methoxy-N,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N1CCN(C)CC1
InChIInChI=1S/C16H25N3O4S/c1-13-5-6-14(23-4)15(11-13)24(21,22)18(3)12-16(20)19-9-7-17(2)8-10-19/h5-6,11H,7-10,12H2,1-4H3
InChIKeyVHINCSGEHSBNOQ-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.40
Rot. Bonds5

About 2-methoxy-N,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide

2-methoxy-N,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 1095811) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-methoxy-N,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID1095811
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name2-methoxy-N,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N1CCN(C)CC1
InChIInChI=1S/C16H25N3O4S/c1-13-5-6-14(23-4)15(11-13)24(21,22)18(3)12-16(20)19-9-7-17(2)8-10-19/h5-6,11H,7-10,12H2,1-4H3
InChIKeyVHINCSGEHSBNOQ-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-Methoxy-3-methylphenyl)sulfonyl]-4-methylpiperazine
CID 847009
1,4-Bis[(2-methoxy-5-methylphenyl)sulfonyl]-2-methylpiperazine
CID 2897110
1-(2-Methoxy-5-methyl-benzenesulfonyl)-4-methyl-piperidine
CID 646254
1-((5-Isopropyl-2-methoxyphenyl)sulfonyl)-4-methylpiperazine
CID 650490
1-Benzyl-4-(2-methoxy-5-methyl-benzenesulfonyl)-piperazine
CID 654169
1-(5-Tert-butyl-2-methoxyphenyl)sulfonyl-4-methylpiperazine
CID 934666
1-[2-[(2-Methoxy-5-methylphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide
CID 1095809
1-{3-[4-Methoxy-3-(1-piperidinylsulfonyl)phenyl]acryloyl}-4-methylpiperazine
CID 1191208
4-methoxy-N,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1243945
N-cyclopentyl-1-[(2-methoxy-5-methylphenyl)sulfonyl]-4-piperidinecarboxamide
CID 1263366
N~1~-cyclopentyl-N~2~-[(2-methoxy-5-methylphenyl)sulfonyl]-N~2~-methylglycinamide
CID 2221982
N-cyclohexyl-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 2237015

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide (CID 1095811) is 2-methoxy-N,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N1CCN(C)CC1.
What is the InChIKey of 2-methoxy-N,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is VHINCSGEHSBNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-13-5-6-14(23-4)15(11-13)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 2-methoxy-N,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
2-methoxy-N,5-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 2-methoxy-N,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 1095811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).