2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C16H25N3O5S — CID 113160044

IUPAC2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCOCCCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(C)=O
InChIInChI=1S/C16H25N3O5S/c1-13(20)19(10-3-11-24-2)12-16(21)18-9-8-14-4-6-15(7-5-14)25(17,22)23/h4-7H,3,8-12H2,1-2H3,(H,18,21)(H2,17,22,23)
InChIKeyMLJVXYURPPGCJY-UHFFFAOYSA-N
MW371.46 g/mol
LogP-0.12
Rot. Bonds10

About 2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 113160044) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID113160044
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC Name2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCOCCCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(C)=O
InChIInChI=1S/C16H25N3O5S/c1-13(20)19(10-3-11-24-2)12-16(21)18-9-8-14-4-6-15(7-5-14)25(17,22)23/h4-7H,3,8-12H2,1-2H3,(H,18,21)(H2,17,22,23)
InChIKeyMLJVXYURPPGCJY-UHFFFAOYSA-N
XLogP-0.12
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 113164320
3-[acetyl(2-methylpropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 113115963
2-[butyl(methylsulfonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113148292
2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide
CID 113159992
1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108894482
2-[acetyl(3-methoxypropyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 113160075
5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 110297842
2-[acetyl(butyl)amino]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113158667
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 113117302
3-[acetyl(tert-butyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 113122472
N-[2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]ethyl]butanamide
CID 113056171
2-[(4-methoxyphenyl)sulfonyl-(3-methoxypropyl)amino]-N-(2-phenylethyl)acetamide
CID 71902529

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 113160044) is 2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is COCCCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(C)=O.
What is the InChIKey of 2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is MLJVXYURPPGCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-13(20)19(10-3-11-24-2)12-16(21)18-9-8-14-4-6-15(7-5-14)25(17,22)23/h4-7H,3,8-12H2,1-2H3,(H,18,21)(H2,17,22,23).
What are the key properties of 2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 371.46 g/mol, XLogP of -0.12, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 113160044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).