5-amino-2-ethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C14H18N2O3S2 — CID 43662942

IUPAC5-amino-2-ethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)NCCc1cccs1
InChIInChI=1S/C14H18N2O3S2/c1-2-19-13-6-5-11(15)10-14(13)21(17,18)16-8-7-12-4-3-9-20-12/h3-6,9-10,16H,2,7-8,15H2,1H3
InChIKeyUTIDEPCTSAHNSB-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.25
Rot. Bonds7

About 5-amino-2-ethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide

5-amino-2-ethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 43662942) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-amino-2-ethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID43662942
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC Name5-amino-2-ethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)NCCc1cccs1
InChIInChI=1S/C14H18N2O3S2/c1-2-19-13-6-5-11(15)10-14(13)21(17,18)16-8-7-12-4-3-9-20-12/h3-6,9-10,16H,2,7-8,15H2,1H3
InChIKeyUTIDEPCTSAHNSB-UHFFFAOYSA-N
XLogP2.25
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.25
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-amino-N-butyl-2-ethoxybenzenesulfonamide
CID 43662916
5-amino-N-methyl-2-(thiophen-2-ylmethoxy)benzenesulfonamide
CID 103287806
5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 43662895
4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79588588
5-amino-2-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231475
5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104762819
5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide
CID 113303848
5-amino-4-bromo-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 114624888
4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 47316710
2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43257668
2,4-dimethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110758706
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 106034891

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 43662942) is 5-amino-2-ethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide is CCOc1ccc(N)cc1S(=O)(=O)NCCc1cccs1.
What is the InChIKey of 5-amino-2-ethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is UTIDEPCTSAHNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-2-19-13-6-5-11(15)10-14(13)21(17,18)16-8-7-12-4-3-9-20-12/h3-6,9-10,16H,2,7-8,15H2,1H3.
What are the key properties of 5-amino-2-ethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
5-amino-2-ethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 326.44 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 43662942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).