5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide

C14H23N3O3S — CID 104683857

IUPAC5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide
SMILESCC(CCCN)C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H23N3O3S/c1-10(4-3-9-15)14(18)17-11(2)12-5-7-13(8-6-12)21(16,19)20/h5-8,10-11H,3-4,9,15H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyOBQJGPYYJBYRRN-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.89
Rot. Bonds7

About 5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide

5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide (PubChem CID 104683857) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide
PubChem CID104683857
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide
SMILESCC(CCCN)C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H23N3O3S/c1-10(4-3-9-15)14(18)17-11(2)12-5-7-13(8-6-12)21(16,19)20/h5-8,10-11H,3-4,9,15H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyOBQJGPYYJBYRRN-UHFFFAOYSA-N
XLogP0.89
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide
CID 124846030
(2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide
CID 124846028
5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 104684895
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 107903643
4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide
CID 60890115
2-butylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 134037901
1-(aminomethyl)-N-[1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115452372
5-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212676
5-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pentanamide
CID 113441068
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
5-amino-N-[1-(3-bromophenyl)ethyl]-2-methylpentanamide
CID 104683795

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide?
The IUPAC name of 5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide (CID 104683857) is 5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide.
What is the SMILES notation for 5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide?
The canonical SMILES for 5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide is CC(CCCN)C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide?
The InChIKey is OBQJGPYYJBYRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-10(4-3-9-15)14(18)17-11(2)12-5-7-13(8-6-12)21(16,19)20/h5-8,10-11H,3-4,9,15H2,1-2H3,(H,17,18)(H2,16,19,20).
What are the key properties of 5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide?
5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide has a molecular weight of 313.42 g/mol, XLogP of 0.89, 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-[1-(4-sulfamoylphenyl)ethyl]pentanamide is sourced from PubChem (CID 104683857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).