5-amino-2-ethoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide

C14H18N2O3S2 — CID 62844249

IUPAC5-amino-2-ethoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)NC(C)c1ccsc1
InChIInChI=1S/C14H18N2O3S2/c1-3-19-13-5-4-12(15)8-14(13)21(17,18)16-10(2)11-6-7-20-9-11/h4-10,16H,3,15H2,1-2H3
InChIKeyKPEGNYOVDVDNGP-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.77
Rot. Bonds6

About 5-amino-2-ethoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide

5-amino-2-ethoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 62844249) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-amino-2-ethoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID62844249
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC Name5-amino-2-ethoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)NC(C)c1ccsc1
InChIInChI=1S/C14H18N2O3S2/c1-3-19-13-5-4-12(15)8-14(13)21(17,18)16-10(2)11-6-7-20-9-11/h4-10,16H,3,15H2,1-2H3
InChIKeyKPEGNYOVDVDNGP-UHFFFAOYSA-N
XLogP2.77
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.77
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-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62841485
5-amino-2-ethoxy-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 63836966
5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43662989
5-(aminomethyl)-2-methoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 106056485
5-amino-N-(1-cyclopropylethyl)-2-ethoxybenzenesulfonamide
CID 43662995
5-amino-2-methoxy-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 79962257
5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide
CID 62118600
5-amino-2-ethoxy-N-pent-1-yn-3-ylbenzenesulfonamide
CID 106231931
2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide
CID 19971229
5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide
CID 113303848
5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104762819
5-amino-2-ethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43662942

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide (CID 62844249) is 5-amino-2-ethoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide is CCOc1ccc(N)cc1S(=O)(=O)NC(C)c1ccsc1.
What is the InChIKey of 5-amino-2-ethoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is KPEGNYOVDVDNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-3-19-13-5-4-12(15)8-14(13)21(17,18)16-10(2)11-6-7-20-9-11/h4-10,16H,3,15H2,1-2H3.
What are the key properties of 5-amino-2-ethoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
5-amino-2-ethoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 326.44 g/mol, XLogP of 2.77, 6 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-(1-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 62844249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).