4-[dimethylsulfamoyl(methyl)amino]-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]benzamide

C22H31N3O5S — CID 92663771

IUPAC4-[dimethylsulfamoyl(methyl)amino]-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]benzamide
SMILESCCOc1ccc(CCCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1OC
InChIInChI=1S/C22H31N3O5S/c1-6-30-20-14-9-17(16-21(20)29-5)8-7-15-23-22(26)18-10-12-19(13-11-18)25(4)31(27,28)24(2)3/h9-14,16H,6-8,15H2,1-5H3,(H,23,26)
InChIKeyBIFBCODIGYGCQB-UHFFFAOYSA-N
MW449.57 g/mol
LogP2.70
Rot. Bonds11

About 4-[dimethylsulfamoyl(methyl)amino]-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]benzamide

4-[dimethylsulfamoyl(methyl)amino]-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]benzamide (PubChem CID 92663771) has the molecular formula C22H31N3O5S and a molecular weight of 449.57 g/mol. Its IUPAC name is 4-[dimethylsulfamoyl(methyl)amino]-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-[dimethylsulfamoyl(methyl)amino]-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]benzamide
PubChem CID92663771
Molecular FormulaC22H31N3O5S
Molecular Weight449.57 g/mol
Exact Mass449.20
IUPAC Name4-[dimethylsulfamoyl(methyl)amino]-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]benzamide
SMILESCCOc1ccc(CCCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1OC
InChIInChI=1S/C22H31N3O5S/c1-6-30-20-14-9-17(16-21(20)29-5)8-7-15-23-22(26)18-10-12-19(13-11-18)25(4)31(27,28)24(2)3/h9-14,16H,6-8,15H2,1-5H3,(H,23,26)
InChIKeyBIFBCODIGYGCQB-UHFFFAOYSA-N
XLogP2.70
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
N-[3-(4-chlorophenyl)propyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92663766
4-[dimethylsulfamoyl(methyl)amino]-N-[3-(3-methylphenyl)propyl]benzamide
CID 92682960
N-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide
CID 143080123
N-[3-(3,4-dimethoxyphenyl)propyl]-4-prop-2-enoxybenzamide
CID 48586947
N-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 26851304
N-[3-(3,4-dimethoxyphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 48599378
4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide
CID 9391807
N-[3-(3,4-dimethoxyphenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 95091650
4-[dimethylsulfamoyl(methyl)amino]-N-[3-(furan-2-yl)propyl]benzamide
CID 53283301
1-(3-chloropropyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891565
3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine
CID 116989176

Frequently Asked Questions

What is the IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]benzamide?
The IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]benzamide (CID 92663771) is 4-[dimethylsulfamoyl(methyl)amino]-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]benzamide.
What is the SMILES notation for 4-[dimethylsulfamoyl(methyl)amino]-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]benzamide?
The canonical SMILES for 4-[dimethylsulfamoyl(methyl)amino]-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]benzamide is CCOc1ccc(CCCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1OC.
What is the InChIKey of 4-[dimethylsulfamoyl(methyl)amino]-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]benzamide?
The InChIKey is BIFBCODIGYGCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5S/c1-6-30-20-14-9-17(16-21(20)29-5)8-7-15-23-22(26)18-10-12-19(13-11-18)25(4)31(27,28)24(2)3/h9-14,16H,6-8,15H2,1-5H3,(H,23,26).
What are the key properties of 4-[dimethylsulfamoyl(methyl)amino]-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]benzamide?
4-[dimethylsulfamoyl(methyl)amino]-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]benzamide has a molecular weight of 449.57 g/mol, XLogP of 2.70, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylsulfamoyl(methyl)amino]-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]benzamide is sourced from PubChem (CID 92663771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).