3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide

C15H25N3O3S — CID 108795325

IUPAC3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCCCCN(C)CCC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H25N3O3S/c1-3-4-10-18(2)11-9-15(19)17-12-13-5-7-14(8-6-13)22(16,20)21/h5-8H,3-4,9-12H2,1-2H3,(H,17,19)(H2,16,20,21)
InChIKeyINMKJKXADBSIOK-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.07
Rot. Bonds9

About 3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide

3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide (PubChem CID 108795325) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide
PubChem CID108795325
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCCCCN(C)CCC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H25N3O3S/c1-3-4-10-18(2)11-9-15(19)17-12-13-5-7-14(8-6-13)22(16,20)21/h5-8H,3-4,9-12H2,1-2H3,(H,17,19)(H2,16,20,21)
InChIKeyINMKJKXADBSIOK-UHFFFAOYSA-N
XLogP1.07
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284
N-[(4-sulfamoylphenyl)methyl]heptanamide
CID 4072326
3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 60703250
6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 24689884
N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520263
3-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 121286188
3-(tert-butylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 60850763
5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 118398571
3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 50971111
3-methyl-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 11779448
3-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 108789911

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of 3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide (CID 108795325) is 3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for 3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide is CCCCN(C)CCC(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide?
The InChIKey is INMKJKXADBSIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-3-4-10-18(2)11-9-15(19)17-12-13-5-7-14(8-6-13)22(16,20)21/h5-8H,3-4,9-12H2,1-2H3,(H,17,19)(H2,16,20,21).
What are the key properties of 3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide?
3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide has a molecular weight of 327.45 g/mol, XLogP of 1.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 108795325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).