N-[(2,4-dimethoxyphenyl)methoxy]-3-[methyl-(4-phenoxyphenyl)sulfamoyl]-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide

C35H40N2O10S — CID 102507235

IUPACN-[(2,4-dimethoxyphenyl)methoxy]-3-[methyl-(4-phenoxyphenyl)sulfamoyl]-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CON(Cc2c(OC)cc(OC)cc2OC)C(=O)CCS(=O)(=O)N(C)c2ccc(Oc3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C35H40N2O10S/c1-36(26-13-16-28(17-14-26)47-27-10-8-7-9-11-27)48(39,40)19-18-35(38)37(46-24-25-12-15-29(41-2)20-32(25)43-4)23-31-33(44-5)21-30(42-3)22-34(31)45-6/h7-17,20-22H,18-19,23-24H2,1-6H3
InChIKeyBGBWBPLKIAPJKL-UHFFFAOYSA-N
MW680.78 g/mol
LogP5.84
Rot. Bonds17

About N-[(2,4-dimethoxyphenyl)methoxy]-3-[methyl-(4-phenoxyphenyl)sulfamoyl]-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide

N-[(2,4-dimethoxyphenyl)methoxy]-3-[methyl-(4-phenoxyphenyl)sulfamoyl]-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide (PubChem CID 102507235) has the molecular formula C35H40N2O10S and a molecular weight of 680.78 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methoxy]-3-[methyl-(4-phenoxyphenyl)sulfamoyl]-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methoxy]-3-[methyl-(4-phenoxyphenyl)sulfamoyl]-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide
PubChem CID102507235
Molecular FormulaC35H40N2O10S
Molecular Weight680.78 g/mol
Exact Mass680.24
IUPAC NameN-[(2,4-dimethoxyphenyl)methoxy]-3-[methyl-(4-phenoxyphenyl)sulfamoyl]-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CON(Cc2c(OC)cc(OC)cc2OC)C(=O)CCS(=O)(=O)N(C)c2ccc(Oc3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C35H40N2O10S/c1-36(26-13-16-28(17-14-26)47-27-10-8-7-9-11-27)48(39,40)19-18-35(38)37(46-24-25-12-15-29(41-2)20-32(25)43-4)23-31-33(44-5)21-30(42-3)22-34(31)45-6/h7-17,20-22H,18-19,23-24H2,1-6H3
InChIKeyBGBWBPLKIAPJKL-UHFFFAOYSA-N
XLogP5.84
TPSA122.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.78
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methoxy]-3-[methyl-(4-phenoxyphenyl)sulfamoyl]-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methoxy]-3-[methyl-(4-phenoxyphenyl)sulfamoyl]-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide (CID 102507235) is N-[(2,4-dimethoxyphenyl)methoxy]-3-[methyl-(4-phenoxyphenyl)sulfamoyl]-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methoxy]-3-[methyl-(4-phenoxyphenyl)sulfamoyl]-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methoxy]-3-[methyl-(4-phenoxyphenyl)sulfamoyl]-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide is COc1ccc(CON(Cc2c(OC)cc(OC)cc2OC)C(=O)CCS(=O)(=O)N(C)c2ccc(Oc3ccccc3)cc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methoxy]-3-[methyl-(4-phenoxyphenyl)sulfamoyl]-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide?
The InChIKey is BGBWBPLKIAPJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N2O10S/c1-36(26-13-16-28(17-14-26)47-27-10-8-7-9-11-27)48(39,40)19-18-35(38)37(46-24-25-12-15-29(41-2)20-32(25)43-4)23-31-33(44-5)21-30(42-3)22-34(31)45-6/h7-17,20-22H,18-19,23-24H2,1-6H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methoxy]-3-[methyl-(4-phenoxyphenyl)sulfamoyl]-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide?
N-[(2,4-dimethoxyphenyl)methoxy]-3-[methyl-(4-phenoxyphenyl)sulfamoyl]-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide has a molecular weight of 680.78 g/mol, XLogP of 5.84, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methoxy]-3-[methyl-(4-phenoxyphenyl)sulfamoyl]-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 102507235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).