4-methoxy-N,2,6-trimethyl-N-[5-[3-(4-methylpiperazin-1-yl)phenyl]-3-oxopentyl]benzenesulfonamide

C26H37N3O4S — CID 58116336

IUPAC4-methoxy-N,2,6-trimethyl-N-[5-[3-(4-methylpiperazin-1-yl)phenyl]-3-oxopentyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCC(=O)CCc2cccc(N3CCN(C)CC3)c2)c(C)c1
InChIInChI=1S/C26H37N3O4S/c1-20-17-25(33-5)18-21(2)26(20)34(31,32)28(4)12-11-24(30)10-9-22-7-6-8-23(19-22)29-15-13-27(3)14-16-29/h6-8,17-19H,9-16H2,1-5H3
InChIKeyQOVXYAVNURBRGH-UHFFFAOYSA-N
MW487.67 g/mol
LogP3.28
Rot. Bonds10

About 4-methoxy-N,2,6-trimethyl-N-[5-[3-(4-methylpiperazin-1-yl)phenyl]-3-oxopentyl]benzenesulfonamide

4-methoxy-N,2,6-trimethyl-N-[5-[3-(4-methylpiperazin-1-yl)phenyl]-3-oxopentyl]benzenesulfonamide (PubChem CID 58116336) has the molecular formula C26H37N3O4S and a molecular weight of 487.67 g/mol. Its IUPAC name is 4-methoxy-N,2,6-trimethyl-N-[5-[3-(4-methylpiperazin-1-yl)phenyl]-3-oxopentyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N,2,6-trimethyl-N-[5-[3-(4-methylpiperazin-1-yl)phenyl]-3-oxopentyl]benzenesulfonamide
PubChem CID58116336
Molecular FormulaC26H37N3O4S
Molecular Weight487.67 g/mol
Exact Mass487.25
IUPAC Name4-methoxy-N,2,6-trimethyl-N-[5-[3-(4-methylpiperazin-1-yl)phenyl]-3-oxopentyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCC(=O)CCc2cccc(N3CCN(C)CC3)c2)c(C)c1
InChIInChI=1S/C26H37N3O4S/c1-20-17-25(33-5)18-21(2)26(20)34(31,32)28(4)12-11-24(30)10-9-22-7-6-8-23(19-22)29-15-13-27(3)14-16-29/h6-8,17-19H,9-16H2,1-5H3
InChIKeyQOVXYAVNURBRGH-UHFFFAOYSA-N
XLogP3.28
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.67
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[4-[4-(dimethylamino)piperidin-1-yl]-3-methylphenyl]-3-oxopentyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide
CID 58116368
4-methoxy-N,2,6-trimethyl-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-oxobutyl]benzenesulfonamide
CID 58116121
4-methoxy-N,2,6-trimethyl-N-[4-[4-[4-(methylamino)piperidin-1-yl]phenyl]-3-oxobutyl]benzenesulfonamide
CID 58116179
N-[5-[3-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-3-oxopentyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide
CID 58529251
N-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-3-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]propanamide
CID 59597670
N-[4-[2-[2-(dimethylamino)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl]-3-oxobutyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide
CID 58116413
3-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-[4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]phenyl]propanamide
CID 24849236
N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methylphenyl]-3-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]propanamide
CID 59597790
N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-3-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]propanamide
CID 24849820
3-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-[2-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]ethyl]propanamide
CID 59598005
N-[4-[4-[2-(dimethylamino)ethyl-methylamino]-3-methylphenyl]-3-oxobutyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide
CID 58116404
4-methoxy-N,2,6-trimethyl-N-[3-oxo-4-[4-[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]cyclohexyl]butyl]benzenesulfonamide
CID 58116032

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,2,6-trimethyl-N-[5-[3-(4-methylpiperazin-1-yl)phenyl]-3-oxopentyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N,2,6-trimethyl-N-[5-[3-(4-methylpiperazin-1-yl)phenyl]-3-oxopentyl]benzenesulfonamide (CID 58116336) is 4-methoxy-N,2,6-trimethyl-N-[5-[3-(4-methylpiperazin-1-yl)phenyl]-3-oxopentyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N,2,6-trimethyl-N-[5-[3-(4-methylpiperazin-1-yl)phenyl]-3-oxopentyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N,2,6-trimethyl-N-[5-[3-(4-methylpiperazin-1-yl)phenyl]-3-oxopentyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(C)CCC(=O)CCc2cccc(N3CCN(C)CC3)c2)c(C)c1.
What is the InChIKey of 4-methoxy-N,2,6-trimethyl-N-[5-[3-(4-methylpiperazin-1-yl)phenyl]-3-oxopentyl]benzenesulfonamide?
The InChIKey is QOVXYAVNURBRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O4S/c1-20-17-25(33-5)18-21(2)26(20)34(31,32)28(4)12-11-24(30)10-9-22-7-6-8-23(19-22)29-15-13-27(3)14-16-29/h6-8,17-19H,9-16H2,1-5H3.
What are the key properties of 4-methoxy-N,2,6-trimethyl-N-[5-[3-(4-methylpiperazin-1-yl)phenyl]-3-oxopentyl]benzenesulfonamide?
4-methoxy-N,2,6-trimethyl-N-[5-[3-(4-methylpiperazin-1-yl)phenyl]-3-oxopentyl]benzenesulfonamide has a molecular weight of 487.67 g/mol, XLogP of 3.28, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,2,6-trimethyl-N-[5-[3-(4-methylpiperazin-1-yl)phenyl]-3-oxopentyl]benzenesulfonamide is sourced from PubChem (CID 58116336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).