N-(5-amino-2-methoxyphenyl)-5-ethylthiophene-2-sulfonamide

C13H16N2O3S2 — CID 61454236

IUPACN-(5-amino-2-methoxyphenyl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(N)ccc2OC)s1
InChIInChI=1S/C13H16N2O3S2/c1-3-10-5-7-13(19-10)20(16,17)15-11-8-9(14)4-6-12(11)18-2/h4-8,15H,3,14H2,1-2H3
InChIKeyWNVMGQFCTXMYAQ-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.70
Rot. Bonds5

About N-(5-amino-2-methoxyphenyl)-5-ethylthiophene-2-sulfonamide

N-(5-amino-2-methoxyphenyl)-5-ethylthiophene-2-sulfonamide (PubChem CID 61454236) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-5-ethylthiophene-2-sulfonamide
PubChem CID61454236
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC NameN-(5-amino-2-methoxyphenyl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(N)ccc2OC)s1
InChIInChI=1S/C13H16N2O3S2/c1-3-10-5-7-13(19-10)20(16,17)15-11-8-9(14)4-6-12(11)18-2/h4-8,15H,3,14H2,1-2H3
InChIKeyWNVMGQFCTXMYAQ-UHFFFAOYSA-N
XLogP2.70
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 43155714
5-ethyl-N-[4-(2-methoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987399
N-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide
CID 55169551
N-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 61454311
N-(5-amino-2,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 104757226
N-(4-amino-2-methoxyphenyl)-5-cyanothiophene-2-sulfonamide
CID 106265098
N-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 28941375
5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103
N-(5-amino-2-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 28941062
N-(5-amino-2-methoxyphenyl)-1-cyclopropylmethanesulfonamide
CID 64987464
N-(5-amino-2-methoxyphenyl)-2,5-difluorobenzenesulfonamide
CID 43344398
N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-5-ethylthiophene-2-sulfonamide (CID 61454236) is N-(5-amino-2-methoxyphenyl)-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2cc(N)ccc2OC)s1.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-5-ethylthiophene-2-sulfonamide?
The InChIKey is WNVMGQFCTXMYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-3-10-5-7-13(19-10)20(16,17)15-11-8-9(14)4-6-12(11)18-2/h4-8,15H,3,14H2,1-2H3.
What are the key properties of N-(5-amino-2-methoxyphenyl)-5-ethylthiophene-2-sulfonamide?
N-(5-amino-2-methoxyphenyl)-5-ethylthiophene-2-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 61454236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).