5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide

C14H23N3O3S — CID 104684895

IUPAC5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
SMILESCC(CCCN)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H23N3O3S/c1-11(3-2-9-15)14(18)17-10-8-12-4-6-13(7-5-12)21(16,19)20/h4-7,11H,2-3,8-10,15H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyOOVYCWRTKVHNPX-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.37
Rot. Bonds8

About 5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide

5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide (PubChem CID 104684895) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
PubChem CID104684895
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
SMILESCC(CCCN)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H23N3O3S/c1-11(3-2-9-15)14(18)17-10-8-12-4-6-13(7-5-12)21(16,19)20/h4-7,11H,2-3,8-10,15H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyOOVYCWRTKVHNPX-UHFFFAOYSA-N
XLogP0.37
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659
5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide
CID 104683857
5-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpentanamide
CID 104684782
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 60905744
5-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide
CID 104684174
3-(4-chlorophenyl)-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 110310771
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
1-(3-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 51131161
2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 3875350
4-chloro-N-[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]benzamide
CID 3915071
4-[(3R)-3-aminobutyl]benzenesulfonamide
CID 54189732

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide?
The IUPAC name of 5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide (CID 104684895) is 5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide.
What is the SMILES notation for 5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide?
The canonical SMILES for 5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide is CC(CCCN)C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide?
The InChIKey is OOVYCWRTKVHNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-11(3-2-9-15)14(18)17-10-8-12-4-6-13(7-5-12)21(16,19)20/h4-7,11H,2-3,8-10,15H2,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of 5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide?
5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide has a molecular weight of 313.42 g/mol, XLogP of 0.37, 8 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-[2-(4-sulfamoylphenyl)ethyl]pentanamide is sourced from PubChem (CID 104684895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).