2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide

C13H20N2O3S — CID 60905744

IUPAC2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
SMILESCC(C)C(=O)NCCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(2)13(16)15-9-3-4-11-5-7-12(8-6-11)19(14,17)18/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyCPTNITLHYRXMOI-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.04
Rot. Bonds6

About 2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide

2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide (PubChem CID 60905744) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
PubChem CID60905744
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
SMILESCC(C)C(=O)NCCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(2)13(16)15-9-3-4-11-5-7-12(8-6-11)19(14,17)18/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyCPTNITLHYRXMOI-UHFFFAOYSA-N
XLogP1.04
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 110310771
3-methyl-2-(4-methylphenyl)-N-[3-(4-sulfamoylphenyl)propyl]butanamide
CID 110313954
2-methyl-N-[3-(4-methylphenyl)propyl]propanamide
CID 56920541
(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659
4-[3-(propan-2-ylsulfonylamino)propyl]benzenesulfonamide
CID 60906181
5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 104684895
3,3,3-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 60906071
1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea
CID 110293756
N-[3-(4-sulfamoylphenyl)propyl]cyclobutanecarboxamide
CID 60905854
N-[3-(4-sulfamoylphenyl)propyl]-1H-pyrazole-5-carboxamide
CID 63079423
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110293759

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide?
The IUPAC name of 2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide (CID 60905744) is 2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide is CC(C)C(=O)NCCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide?
The InChIKey is CPTNITLHYRXMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(2)13(16)15-9-3-4-11-5-7-12(8-6-11)19(14,17)18/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide?
2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide has a molecular weight of 284.38 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide is sourced from PubChem (CID 60905744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).