2-ethyl-N-[(4-sulfamoylphenyl)methyl]butanamide

C13H20N2O3S — CID 4656684

IUPAC2-ethyl-N-[(4-sulfamoylphenyl)methyl]butanamide
SMILESCCC(CC)C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-3-11(4-2)13(16)15-9-10-5-7-12(8-6-10)19(14,17)18/h5-8,11H,3-4,9H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyDFTIEXAJOSDHTB-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.39
Rot. Bonds6

About 2-ethyl-N-[(4-sulfamoylphenyl)methyl]butanamide

2-ethyl-N-[(4-sulfamoylphenyl)methyl]butanamide (PubChem CID 4656684) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-ethyl-N-[(4-sulfamoylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[(4-sulfamoylphenyl)methyl]butanamide
PubChem CID4656684
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-ethyl-N-[(4-sulfamoylphenyl)methyl]butanamide
SMILESCCC(CC)C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-3-11(4-2)13(16)15-9-10-5-7-12(8-6-10)19(14,17)18/h5-8,11H,3-4,9H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyDFTIEXAJOSDHTB-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-N-[(4-sulfamoylphenyl)methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tolbutamide
CID 5505
N-[2-[4-(aminosulphonyl)phenyl]ethyl]acetamide
CID 745994
N-benzyl-4-sulfamoylbenzamide
CID 4347
N-methyl-4-sulfamoylbenzamide
CID 4093508
N-prop-2-ynyl-4-sulfamoyl-benzamide
CID 11851424
2-Propyl-pentanoic acid 4-sulfamoyl-benzylamide
CID 10946908
N-((4-(Aminosulphonyl)phenyl)methyl)acetamide
CID 74833
4-[1-(Methylamino)ethyl]benzene-1-sulfonamide
CID 4961836
2-phenyl-N-(4-sulfamoylbenzyl)acetamide
CID 4119643
n-Propyl-4-sulfamoylbenzamide
CID 226552
N-Ethyl 4-sulfamylbenzamide
CID 10242881
4-Sulfamylbenzamide,N-hexyl
CID 11778627

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(4-sulfamoylphenyl)methyl]butanamide?
The IUPAC name of 2-ethyl-N-[(4-sulfamoylphenyl)methyl]butanamide (CID 4656684) is 2-ethyl-N-[(4-sulfamoylphenyl)methyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[(4-sulfamoylphenyl)methyl]butanamide?
The canonical SMILES for 2-ethyl-N-[(4-sulfamoylphenyl)methyl]butanamide is CCC(CC)C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-ethyl-N-[(4-sulfamoylphenyl)methyl]butanamide?
The InChIKey is DFTIEXAJOSDHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-11(4-2)13(16)15-9-10-5-7-12(8-6-10)19(14,17)18/h5-8,11H,3-4,9H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-ethyl-N-[(4-sulfamoylphenyl)methyl]butanamide?
2-ethyl-N-[(4-sulfamoylphenyl)methyl]butanamide has a molecular weight of 284.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(4-sulfamoylphenyl)methyl]butanamide is sourced from PubChem (CID 4656684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).