N-[2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]ethyl]butanamide

C16H25N3O4S — CID 113056171

IUPACN-[2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]ethyl]butanamide
SMILESCCCC(=O)NCCN(CCc1ccc(S(N)(=O)=O)cc1)C(C)=O
InChIInChI=1S/C16H25N3O4S/c1-3-4-16(21)18-10-12-19(13(2)20)11-9-14-5-7-15(8-6-14)24(17,22)23/h5-8H,3-4,9-12H2,1-2H3,(H,18,21)(H2,17,22,23)
InChIKeyTZZJWCJOPUSOJL-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.64
Rot. Bonds9

About N-[2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]ethyl]butanamide

N-[2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]ethyl]butanamide (PubChem CID 113056171) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]ethyl]butanamide
PubChem CID113056171
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC NameN-[2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]ethyl]butanamide
SMILESCCCC(=O)NCCN(CCc1ccc(S(N)(=O)=O)cc1)C(C)=O
InChIInChI=1S/C16H25N3O4S/c1-3-4-16(21)18-10-12-19(13(2)20)11-9-14-5-7-15(8-6-14)24(17,22)23/h5-8H,3-4,9-12H2,1-2H3,(H,18,21)(H2,17,22,23)
InChIKeyTZZJWCJOPUSOJL-UHFFFAOYSA-N
XLogP0.64
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]butanamide
CID 113055720
N-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113056192
3-[acetyl(2-methylpropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 113115963
3-[acetyl(tert-butyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 113122472
2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N,N-diethylacetamide
CID 113165281
N-ethyl-3-(4-sulfamoylphenyl)propanamide
CID 47109333
N-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide
CID 113051865
3-[acetyl(2-phenylethyl)amino]-N-propylpropanamide
CID 113120727
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 113117302
2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 113165276
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
3-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-butylpropanamide
CID 113121920

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]ethyl]butanamide?
The IUPAC name of N-[2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]ethyl]butanamide (CID 113056171) is N-[2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]ethyl]butanamide.
What is the SMILES notation for N-[2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]ethyl]butanamide?
The canonical SMILES for N-[2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]ethyl]butanamide is CCCC(=O)NCCN(CCc1ccc(S(N)(=O)=O)cc1)C(C)=O.
What is the InChIKey of N-[2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]ethyl]butanamide?
The InChIKey is TZZJWCJOPUSOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-3-4-16(21)18-10-12-19(13(2)20)11-9-14-5-7-15(8-6-14)24(17,22)23/h5-8H,3-4,9-12H2,1-2H3,(H,18,21)(H2,17,22,23).
What are the key properties of N-[2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]ethyl]butanamide?
N-[2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]ethyl]butanamide has a molecular weight of 355.46 g/mol, XLogP of 0.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]ethyl]butanamide is sourced from PubChem (CID 113056171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).