5-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide

C13H21N3O3S — CID 104684174

IUPAC5-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide
SMILESCC(CCCN)C(=O)NCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H21N3O3S/c1-10(4-3-7-14)13(17)16-9-11-5-2-6-12(8-11)20(15,18)19/h2,5-6,8,10H,3-4,7,9,14H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyKIOUAGMDIYCXLZ-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.33
Rot. Bonds7

About 5-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide

5-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide (PubChem CID 104684174) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide
PubChem CID104684174
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name5-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide
SMILESCC(CCCN)C(=O)NCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H21N3O3S/c1-10(4-3-7-14)13(17)16-9-11-5-2-6-12(8-11)20(15,18)19/h2,5-6,8,10H,3-4,7,9,14H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyKIOUAGMDIYCXLZ-UHFFFAOYSA-N
XLogP0.33
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 62638953
2-cyclopropyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 79506370
5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 104684895
(2S)-2-amino-4-methylsulfanyl-N-[(3-sulfamoylphenyl)methyl]butanamide
CID 61180691
3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119731394
4-amino-N-[(3-chlorophenyl)methyl]-2-methylbutanamide
CID 80542146
2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 61265020
1-[(2R)-2-benzyl-3-methylbutyl]-3-[(3-sulfamoylphenyl)methyl]urea
CID 124732637
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 55938698
5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide
CID 104684743
2-methoxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 32567500
4-hydroxy-N-[(3-sulfamoylphenyl)methyl]butanamide
CID 79192761

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide?
The IUPAC name of 5-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide (CID 104684174) is 5-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide.
What is the SMILES notation for 5-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide?
The canonical SMILES for 5-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide is CC(CCCN)C(=O)NCc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 5-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide?
The InChIKey is KIOUAGMDIYCXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-10(4-3-7-14)13(17)16-9-11-5-2-6-12(8-11)20(15,18)19/h2,5-6,8,10H,3-4,7,9,14H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 5-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide?
5-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide has a molecular weight of 299.40 g/mol, XLogP of 0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide is sourced from PubChem (CID 104684174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).