N-(3-aminophenyl)-5-ethyl-N-propylthiophene-2-sulfonamide

C15H20N2O2S2 — CID 63229565

IUPACN-(3-aminophenyl)-5-ethyl-N-propylthiophene-2-sulfonamide
SMILESCCCN(c1cccc(N)c1)S(=O)(=O)c1ccc(CC)s1
InChIInChI=1S/C15H20N2O2S2/c1-3-10-17(13-7-5-6-12(16)11-13)21(18,19)15-9-8-14(4-2)20-15/h5-9,11H,3-4,10,16H2,1-2H3
InChIKeyVKNDRTKHISXZHS-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.50
Rot. Bonds6

About N-(3-aminophenyl)-5-ethyl-N-propylthiophene-2-sulfonamide

N-(3-aminophenyl)-5-ethyl-N-propylthiophene-2-sulfonamide (PubChem CID 63229565) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-(3-aminophenyl)-5-ethyl-N-propylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-5-ethyl-N-propylthiophene-2-sulfonamide
PubChem CID63229565
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC NameN-(3-aminophenyl)-5-ethyl-N-propylthiophene-2-sulfonamide
SMILESCCCN(c1cccc(N)c1)S(=O)(=O)c1ccc(CC)s1
InChIInChI=1S/C15H20N2O2S2/c1-3-10-17(13-7-5-6-12(16)11-13)21(18,19)15-9-8-14(4-2)20-15/h5-9,11H,3-4,10,16H2,1-2H3
InChIKeyVKNDRTKHISXZHS-UHFFFAOYSA-N
XLogP3.50
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-5-ethyl-N-propylthiophene-2-sulfonamide?
The IUPAC name of N-(3-aminophenyl)-5-ethyl-N-propylthiophene-2-sulfonamide (CID 63229565) is N-(3-aminophenyl)-5-ethyl-N-propylthiophene-2-sulfonamide.
What is the SMILES notation for N-(3-aminophenyl)-5-ethyl-N-propylthiophene-2-sulfonamide?
The canonical SMILES for N-(3-aminophenyl)-5-ethyl-N-propylthiophene-2-sulfonamide is CCCN(c1cccc(N)c1)S(=O)(=O)c1ccc(CC)s1.
What is the InChIKey of N-(3-aminophenyl)-5-ethyl-N-propylthiophene-2-sulfonamide?
The InChIKey is VKNDRTKHISXZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-3-10-17(13-7-5-6-12(16)11-13)21(18,19)15-9-8-14(4-2)20-15/h5-9,11H,3-4,10,16H2,1-2H3.
What are the key properties of N-(3-aminophenyl)-5-ethyl-N-propylthiophene-2-sulfonamide?
N-(3-aminophenyl)-5-ethyl-N-propylthiophene-2-sulfonamide has a molecular weight of 324.47 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-5-ethyl-N-propylthiophene-2-sulfonamide is sourced from PubChem (CID 63229565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).