5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide

C15H20N2O2S2 — CID 106006826

IUPAC5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2cc(N)ccc2CC)s1
InChIInChI=1S/C15H20N2O2S2/c1-3-11-5-6-12(16)9-15(11)21(18,19)17-10-14-8-7-13(4-2)20-14/h5-9,17H,3-4,10,16H2,1-2H3
InChIKeyGPMANFXSBYRNGS-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.93
Rot. Bonds6

About 5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide

5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 106006826) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
PubChem CID106006826
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2cc(N)ccc2CC)s1
InChIInChI=1S/C15H20N2O2S2/c1-3-11-5-6-12(16)9-15(11)21(18,19)17-10-14-8-7-13(4-2)20-14/h5-9,17H,3-4,10,16H2,1-2H3
InChIKeyGPMANFXSBYRNGS-UHFFFAOYSA-N
XLogP2.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006773
5-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide
CID 106006763
5-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106006837
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 106006813
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 106006794
2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006795
5-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-ethylbenzenesulfonamide
CID 106035162
4-(aminomethyl)-3-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106094666
3-amino-5-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 106006788
5-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369002
5-amino-2-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 61126239
5-amino-4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106006764

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide (CID 106006826) is 5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide is CCc1ccc(CNS(=O)(=O)c2cc(N)ccc2CC)s1.
What is the InChIKey of 5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is GPMANFXSBYRNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-3-11-5-6-12(16)9-15(11)21(18,19)17-10-14-8-7-13(4-2)20-14/h5-9,17H,3-4,10,16H2,1-2H3.
What are the key properties of 5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide?
5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106006826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).