2-[methyl(2-phenoxyethyl)amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide

C19H25N3O4S — CID 8754897

IUPAC2-[methyl(2-phenoxyethyl)amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CN(C)CCOc1ccccc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H25N3O4S/c1-15(16-8-10-18(11-9-16)27(20,24)25)21-19(23)14-22(2)12-13-26-17-6-4-3-5-7-17/h3-11,15H,12-14H2,1-2H3,(H,21,23)(H2,20,24,25)/t15-/m1/s1
InChIKeyGVSSJWOAGYIRAJ-OAHLLOKOSA-N
MW391.49 g/mol
LogP1.52
Rot. Bonds9

About 2-[methyl(2-phenoxyethyl)amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide

2-[methyl(2-phenoxyethyl)amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 8754897) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-[methyl(2-phenoxyethyl)amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[methyl(2-phenoxyethyl)amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID8754897
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name2-[methyl(2-phenoxyethyl)amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CN(C)CCOc1ccccc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H25N3O4S/c1-15(16-8-10-18(11-9-16)27(20,24)25)21-19(23)14-22(2)12-13-26-17-6-4-3-5-7-17/h3-11,15H,12-14H2,1-2H3,(H,21,23)(H2,20,24,25)/t15-/m1/s1
InChIKeyGVSSJWOAGYIRAJ-OAHLLOKOSA-N
XLogP1.52
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide
CID 8514636
3,3-diphenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4793818
2-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide
CID 47007435
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8540898
N-(2-chlorophenyl)-2-[methyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide
CID 38171543
4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide
CID 34600685
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8595170
2-[3-(4-fluorophenoxy)propyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 46444841
2-(N-benzyl-4-methylanilino)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 30781190
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 2572446
(2R)-2-[benzyl(methyl)amino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
CID 32727461

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-phenoxyethyl)amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[methyl(2-phenoxyethyl)amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide (CID 8754897) is 2-[methyl(2-phenoxyethyl)amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[methyl(2-phenoxyethyl)amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[methyl(2-phenoxyethyl)amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide is C[C@@H](NC(=O)CN(C)CCOc1ccccc1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[methyl(2-phenoxyethyl)amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is GVSSJWOAGYIRAJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-15(16-8-10-18(11-9-16)27(20,24)25)21-19(23)14-22(2)12-13-26-17-6-4-3-5-7-17/h3-11,15H,12-14H2,1-2H3,(H,21,23)(H2,20,24,25)/t15-/m1/s1.
What are the key properties of 2-[methyl(2-phenoxyethyl)amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide?
2-[methyl(2-phenoxyethyl)amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 391.49 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-phenoxyethyl)amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 8754897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).