3-[acetyl(2-methylpropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C17H27N3O4S — CID 113115963

IUPAC3-[acetyl(2-methylpropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(C)C
InChIInChI=1S/C17H27N3O4S/c1-13(2)12-20(14(3)21)11-9-17(22)19-10-8-15-4-6-16(7-5-15)25(18,23)24/h4-7,13H,8-12H2,1-3H3,(H,19,22)(H2,18,23,24)
InChIKeyPPHXHEKZMULNMK-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.89
Rot. Bonds9

About 3-[acetyl(2-methylpropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

3-[acetyl(2-methylpropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 113115963) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-[acetyl(2-methylpropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(2-methylpropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID113115963
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name3-[acetyl(2-methylpropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(C)C
InChIInChI=1S/C17H27N3O4S/c1-13(2)12-20(14(3)21)11-9-17(22)19-10-8-15-4-6-16(7-5-15)25(18,23)24/h4-7,13H,8-12H2,1-3H3,(H,19,22)(H2,18,23,24)
InChIKeyPPHXHEKZMULNMK-UHFFFAOYSA-N
XLogP0.89
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
3-[acetyl(tert-butyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 113122472
N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide
CID 60651835
N-[2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]ethyl]butanamide
CID 113056171
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 113117302
3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide
CID 113122843
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenylpropanamide
CID 113052541
2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113160044
N-ethyl-N-(2-methylpropyl)-3-(4-sulfamoylphenyl)propanamide
CID 38591628
3-[(2-bromophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 55482671
3-[acetyl(2-methylpropyl)amino]-N-propylpropanamide
CID 113115907

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2-methylpropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-[acetyl(2-methylpropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 113115963) is 3-[acetyl(2-methylpropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[acetyl(2-methylpropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[acetyl(2-methylpropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is CC(=O)N(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(C)C.
What is the InChIKey of 3-[acetyl(2-methylpropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is PPHXHEKZMULNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-13(2)12-20(14(3)21)11-9-17(22)19-10-8-15-4-6-16(7-5-15)25(18,23)24/h4-7,13H,8-12H2,1-3H3,(H,19,22)(H2,18,23,24).
What are the key properties of 3-[acetyl(2-methylpropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
3-[acetyl(2-methylpropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 369.49 g/mol, XLogP of 0.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2-methylpropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 113115963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).