2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide

C20H27N3O4S — CID 8805833

IUPAC2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCOc1ccc(C)cc1CN(C)CC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H27N3O4S/c1-14-5-10-19(27-4)17(11-14)12-23(3)13-20(24)22-15(2)16-6-8-18(9-7-16)28(21,25)26/h5-11,15H,12-13H2,1-4H3,(H,22,24)(H2,21,25,26)/t15-/m1/s1
InChIKeyMLBNZQIPUBERRJ-OAHLLOKOSA-N
MW405.52 g/mol
LogP1.96
Rot. Bonds8

About 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide

2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 8805833) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID8805833
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCOc1ccc(C)cc1CN(C)CC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H27N3O4S/c1-14-5-10-19(27-4)17(11-14)12-23(3)13-20(24)22-15(2)16-6-8-18(9-7-16)28(21,25)26/h5-11,15H,12-13H2,1-4H3,(H,22,24)(H2,21,25,26)/t15-/m1/s1
InChIKeyMLBNZQIPUBERRJ-OAHLLOKOSA-N
XLogP1.96
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8695736
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 30307214
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8540898
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4883197
3-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 18160079
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8595170
2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 34662548
2-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51146608
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43891537
2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 99130645
2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 53279201
[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2,4-dimethylphenoxy)acetate
CID 9335831

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide (CID 8805833) is 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide is COc1ccc(C)cc1CN(C)CC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is MLBNZQIPUBERRJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-14-5-10-19(27-4)17(11-14)12-23(3)13-20(24)22-15(2)16-6-8-18(9-7-16)28(21,25)26/h5-11,15H,12-13H2,1-4H3,(H,22,24)(H2,21,25,26)/t15-/m1/s1.
What are the key properties of 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide?
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 405.52 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 8805833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).