4-methoxy-1-N,3-N-dimethyl-1-N,3-N-bis(2-phenylethyl)benzene-1,3-disulfonamide

C25H30N2O5S2 — CID 141141198

IUPAC4-methoxy-1-N,3-N-dimethyl-1-N,3-N-bis(2-phenylethyl)benzene-1,3-disulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1S(=O)(=O)N(C)CCc1ccccc1
InChIInChI=1S/C25H30N2O5S2/c1-26(18-16-21-10-6-4-7-11-21)33(28,29)23-14-15-24(32-3)25(20-23)34(30,31)27(2)19-17-22-12-8-5-9-13-22/h4-15,20H,16-19H2,1-3H3
InChIKeyLPRRUTBIGUJIOW-UHFFFAOYSA-N
MW502.66 g/mol
LogP3.42
Rot. Bonds11

About 4-methoxy-1-N,3-N-dimethyl-1-N,3-N-bis(2-phenylethyl)benzene-1,3-disulfonamide

4-methoxy-1-N,3-N-dimethyl-1-N,3-N-bis(2-phenylethyl)benzene-1,3-disulfonamide (PubChem CID 141141198) has the molecular formula C25H30N2O5S2 and a molecular weight of 502.66 g/mol. Its IUPAC name is 4-methoxy-1-N,3-N-dimethyl-1-N,3-N-bis(2-phenylethyl)benzene-1,3-disulfonamide.

Molecular Properties

Compound Name4-methoxy-1-N,3-N-dimethyl-1-N,3-N-bis(2-phenylethyl)benzene-1,3-disulfonamide
PubChem CID141141198
Molecular FormulaC25H30N2O5S2
Molecular Weight502.66 g/mol
Exact Mass502.16
IUPAC Name4-methoxy-1-N,3-N-dimethyl-1-N,3-N-bis(2-phenylethyl)benzene-1,3-disulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1S(=O)(=O)N(C)CCc1ccccc1
InChIInChI=1S/C25H30N2O5S2/c1-26(18-16-21-10-6-4-7-11-21)33(28,29)23-14-15-24(32-3)25(20-23)34(30,31)27(2)19-17-22-12-8-5-9-13-22/h4-15,20H,16-19H2,1-3H3
InChIKeyLPRRUTBIGUJIOW-UHFFFAOYSA-N
XLogP3.42
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.66
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-1-N,3-N-dimethyl-1-N,3-N-bis(2-phenylethyl)benzene-1,3-disulfonamide with MolForge

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Related Compounds

3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 46088777
3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 65486467
4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 87032847
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-N-methyl-3-nitrobenzenesulfonamide
CID 26949005
3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733478
2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide
CID 55681499
3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 31986975
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100767629
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1,3-dioxoisoindole-5-sulfonamide
CID 56587276
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
CID 39631584
N-[3-[benzyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26945772
[(1R)-2-[4-[2-methoxy-5-[methyl(2-phenylethyl)sulfamoyl]phenyl]piperazin-1-yl]-2-oxo-1-phenylethyl] acetate
CID 98418772

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N,3-N-dimethyl-1-N,3-N-bis(2-phenylethyl)benzene-1,3-disulfonamide?
The IUPAC name of 4-methoxy-1-N,3-N-dimethyl-1-N,3-N-bis(2-phenylethyl)benzene-1,3-disulfonamide (CID 141141198) is 4-methoxy-1-N,3-N-dimethyl-1-N,3-N-bis(2-phenylethyl)benzene-1,3-disulfonamide.
What is the SMILES notation for 4-methoxy-1-N,3-N-dimethyl-1-N,3-N-bis(2-phenylethyl)benzene-1,3-disulfonamide?
The canonical SMILES for 4-methoxy-1-N,3-N-dimethyl-1-N,3-N-bis(2-phenylethyl)benzene-1,3-disulfonamide is COc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1S(=O)(=O)N(C)CCc1ccccc1.
What is the InChIKey of 4-methoxy-1-N,3-N-dimethyl-1-N,3-N-bis(2-phenylethyl)benzene-1,3-disulfonamide?
The InChIKey is LPRRUTBIGUJIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5S2/c1-26(18-16-21-10-6-4-7-11-21)33(28,29)23-14-15-24(32-3)25(20-23)34(30,31)27(2)19-17-22-12-8-5-9-13-22/h4-15,20H,16-19H2,1-3H3.
What are the key properties of 4-methoxy-1-N,3-N-dimethyl-1-N,3-N-bis(2-phenylethyl)benzene-1,3-disulfonamide?
4-methoxy-1-N,3-N-dimethyl-1-N,3-N-bis(2-phenylethyl)benzene-1,3-disulfonamide has a molecular weight of 502.66 g/mol, XLogP of 3.42, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N,3-N-dimethyl-1-N,3-N-bis(2-phenylethyl)benzene-1,3-disulfonamide is sourced from PubChem (CID 141141198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).