2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide

C20H25F2N3O5S — CID 46406134

IUPAC2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
SMILESCCOc1cc(CN(C)C(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OC(F)F
InChIInChI=1S/C20H25F2N3O5S/c1-4-29-18-11-14(5-10-17(18)30-20(21)22)12-25(3)13(2)19(26)24-15-6-8-16(9-7-15)31(23,27)28/h5-11,13,20H,4,12H2,1-3H3,(H,24,26)(H2,23,27,28)
InChIKeyBRGCVTWFADNRRG-UHFFFAOYSA-N
MW457.50 g/mol
LogP2.79
Rot. Bonds10

About 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide

2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 46406134) has the molecular formula C20H25F2N3O5S and a molecular weight of 457.50 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
PubChem CID46406134
Molecular FormulaC20H25F2N3O5S
Molecular Weight457.50 g/mol
Exact Mass457.15
IUPAC Name2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
SMILESCCOc1cc(CN(C)C(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OC(F)F
InChIInChI=1S/C20H25F2N3O5S/c1-4-29-18-11-14(5-10-17(18)30-20(21)22)12-25(3)13(2)19(26)24-15-6-8-16(9-7-15)31(23,27)28/h5-11,13,20H,4,12H2,1-3H3,(H,24,26)(H2,23,27,28)
InChIKeyBRGCVTWFADNRRG-UHFFFAOYSA-N
XLogP2.79
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(2S)-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propanoyl]amino]benzamide
CID 51939505
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-phenylpropanamide
CID 46406054
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 42957860
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide
CID 46405979
N-(4-bromophenyl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide
CID 55628132
(2S)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 8517596
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]-N-naphthalen-2-ylpropanamide
CID 55628174
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 55524825
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 8694700
1-[2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55628044
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide
CID 56550038
2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 4845097

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide (CID 46406134) is 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide is CCOc1cc(CN(C)C(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OC(F)F.
What is the InChIKey of 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is BRGCVTWFADNRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O5S/c1-4-29-18-11-14(5-10-17(18)30-20(21)22)12-25(3)13(2)19(26)24-15-6-8-16(9-7-15)31(23,27)28/h5-11,13,20H,4,12H2,1-3H3,(H,24,26)(H2,23,27,28).
What are the key properties of 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide?
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 457.50 g/mol, XLogP of 2.79, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 46406134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).