4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propylbenzenesulfonamide

C16H25N3O4S — CID 3156718

IUPAC4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C16H25N3O4S/c1-3-8-17-24(21,22)15-6-4-14(5-7-15)23-13-16(20)19-11-9-18(2)10-12-19/h4-7,17H,3,8-13H2,1-2H3
InChIKeyALBKRSDVIHCTDC-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.53
Rot. Bonds7

About 4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propylbenzenesulfonamide

4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propylbenzenesulfonamide (PubChem CID 3156718) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propylbenzenesulfonamide
PubChem CID3156718
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C16H25N3O4S/c1-3-8-17-24(21,22)15-6-4-14(5-7-15)23-13-16(20)19-11-9-18(2)10-12-19/h4-7,17H,3,8-13H2,1-2H3
InChIKeyALBKRSDVIHCTDC-UHFFFAOYSA-N
XLogP0.53
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-hydroxy-2-[(4-methoxybenzene)[2-(morpholin-4-yl)ethyl]sulfonamido]acetamide
CID 10738103
Benzenesulfonamide, p-ethoxy-N-(3-morpholinopropyl)-
CID 208532
N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082957
N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082958
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 1210664
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2-phenoxyacetamide
CID 4779699
2-(4-Piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
CID 6459962
N-cyclopropyl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6460491
4-ethoxy-N-ethyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 6471321
3-fluoro-4-methoxy-N-[3-(morpholin-4-yl)propyl]benzenesulfonamide
CID 6471347
5-Fluoro-2-methoxy-N-(2-morpholin-4-yl-ethyl)-benzenesulfonamide
CID 6487446
2-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-N-(2-morpholin-4-yl-ethyl)-acetamide
CID 6493525

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propylbenzenesulfonamide?
The IUPAC name of 4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propylbenzenesulfonamide (CID 3156718) is 4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propylbenzenesulfonamide?
The canonical SMILES for 4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propylbenzenesulfonamide?
The InChIKey is ALBKRSDVIHCTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-3-8-17-24(21,22)15-6-4-14(5-7-15)23-13-16(20)19-11-9-18(2)10-12-19/h4-7,17H,3,8-13H2,1-2H3.
What are the key properties of 4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propylbenzenesulfonamide?
4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propylbenzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 0.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propylbenzenesulfonamide is sourced from PubChem (CID 3156718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).