N-(5-amino-2,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide

C14H18N2O2S2 — CID 104757226

IUPACN-(5-amino-2,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(N)c(C)cc2C)s1
InChIInChI=1S/C14H18N2O2S2/c1-4-11-5-6-14(19-11)20(17,18)16-13-8-12(15)9(2)7-10(13)3/h5-8,16H,4,15H2,1-3H3
InChIKeyWUCHWLWZGYVYGI-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.31
Rot. Bonds4

About N-(5-amino-2,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide

N-(5-amino-2,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide (PubChem CID 104757226) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-(5-amino-2,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-2,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
PubChem CID104757226
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-(5-amino-2,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(N)c(C)cc2C)s1
InChIInChI=1S/C14H18N2O2S2/c1-4-11-5-6-14(19-11)20(17,18)16-13-8-12(15)9(2)7-10(13)3/h5-8,16H,4,15H2,1-3H3
InChIKeyWUCHWLWZGYVYGI-UHFFFAOYSA-N
XLogP3.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
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-(5-amino-2,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-(5-amino-2,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide (CID 104757226) is N-(5-amino-2,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(5-amino-2,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-(5-amino-2,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2cc(N)c(C)cc2C)s1.
What is the InChIKey of N-(5-amino-2,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide?
The InChIKey is WUCHWLWZGYVYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-4-11-5-6-14(19-11)20(17,18)16-13-8-12(15)9(2)7-10(13)3/h5-8,16H,4,15H2,1-3H3.
What are the key properties of N-(5-amino-2,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide?
N-(5-amino-2,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide has a molecular weight of 310.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 104757226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).