3-(tert-butylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide

C14H23N3O3S — CID 60850763

IUPAC3-(tert-butylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCC(C)(C)NCCC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H23N3O3S/c1-14(2,3)17-9-8-13(18)16-10-11-4-6-12(7-5-11)21(15,19)20/h4-7,17H,8-10H2,1-3H3,(H,16,18)(H2,15,19,20)
InChIKeyLLZSDCXLPSXUET-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.73
Rot. Bonds6

About 3-(tert-butylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide

3-(tert-butylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide (PubChem CID 60850763) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide
PubChem CID60850763
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-(tert-butylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCC(C)(C)NCCC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H23N3O3S/c1-14(2,3)17-9-8-13(18)16-10-11-4-6-12(7-5-11)21(15,19)20/h4-7,17H,8-10H2,1-3H3,(H,16,18)(H2,15,19,20)
InChIKeyLLZSDCXLPSXUET-UHFFFAOYSA-N
XLogP0.73
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
3-(tert-butylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879787
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284
3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 60849701
N-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109019770
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
3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 50971111
N-[(4-fluorophenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109021026
3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 2431253
3-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 121286188

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of 3-(tert-butylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide (CID 60850763) is 3-(tert-butylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide is CC(C)(C)NCCC(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-(tert-butylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The InChIKey is LLZSDCXLPSXUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-14(2,3)17-9-8-13(18)16-10-11-4-6-12(7-5-11)21(15,19)20/h4-7,17H,8-10H2,1-3H3,(H,16,18)(H2,15,19,20).
What are the key properties of 3-(tert-butylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide?
3-(tert-butylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide has a molecular weight of 313.42 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 60850763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).