2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide

C20H27N3O3S — CID 8695736

IUPAC2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1ccc(CN(C)CC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C20H27N3O3S/c1-14-5-6-18(15(2)11-14)12-23(4)13-20(24)22-16(3)17-7-9-19(10-8-17)27(21,25)26/h5-11,16H,12-13H2,1-4H3,(H,22,24)(H2,21,25,26)/t16-/m0/s1
InChIKeyCNGMBFPLPCDFFI-INIZCTEOSA-N
MW389.52 g/mol
LogP2.26
Rot. Bonds7

About 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide

2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 8695736) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID8695736
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1ccc(CN(C)CC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C20H27N3O3S/c1-14-5-6-18(15(2)11-14)12-23(4)13-20(24)22-16(3)17-7-9-19(10-8-17)27(21,25)26/h5-11,16H,12-13H2,1-4H3,(H,22,24)(H2,21,25,26)/t16-/m0/s1
InChIKeyCNGMBFPLPCDFFI-INIZCTEOSA-N
XLogP2.26
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8805833
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 18197627
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8540898
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8595170
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43902286
3-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 18160079
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045913
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045908
2-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51146608
2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 34662548
[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2,4-dimethylphenoxy)acetate
CID 9335831
2-(N-benzyl-4-methylanilino)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 30781190

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide (CID 8695736) is 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide is Cc1ccc(CN(C)CC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is CNGMBFPLPCDFFI-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-14-5-6-18(15(2)11-14)12-23(4)13-20(24)22-16(3)17-7-9-19(10-8-17)27(21,25)26/h5-11,16H,12-13H2,1-4H3,(H,22,24)(H2,21,25,26)/t16-/m0/s1.
What are the key properties of 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide?
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 389.52 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 8695736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).