5-amino-2-methoxy-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide

C14H18N2O3S2 — CID 79962257

IUPAC5-amino-2-methoxy-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)NC(C)c1ccsc1
InChIInChI=1S/C14H18N2O3S2/c1-9-6-13(19-3)14(7-12(9)15)21(17,18)16-10(2)11-4-5-20-8-11/h4-8,10,16H,15H2,1-3H3
InChIKeyMKJJKYILEDEHSG-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.69
Rot. Bonds5

About 5-amino-2-methoxy-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide

5-amino-2-methoxy-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 79962257) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-amino-2-methoxy-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methoxy-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID79962257
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC Name5-amino-2-methoxy-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)NC(C)c1ccsc1
InChIInChI=1S/C14H18N2O3S2/c1-9-6-13(19-3)14(7-12(9)15)21(17,18)16-10(2)11-4-5-20-8-11/h4-8,10,16H,15H2,1-3H3
InChIKeyMKJJKYILEDEHSG-UHFFFAOYSA-N
XLogP2.69
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.69
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)-2-methoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 106056485
5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62841485
5-amino-2-ethoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844249
2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 40921810
4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844268
5-amino-N-(1-cyclopropylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide
CID 79974308
3-amino-5-fluoro-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 116791823
4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 107327103
2-methyl-5-(methylaminomethyl)-N-(1-thiophen-3-ylethyl)furan-3-sulfonamide
CID 106056501
2-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 79961871
5-amino-2,4-dimethoxy-N-thiophen-3-ylbenzenesulfonamide
CID 102946035
5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
CID 102694373

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methoxy-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide (CID 79962257) is 5-amino-2-methoxy-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methoxy-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methoxy-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide is COc1cc(C)c(N)cc1S(=O)(=O)NC(C)c1ccsc1.
What is the InChIKey of 5-amino-2-methoxy-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is MKJJKYILEDEHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-9-6-13(19-3)14(7-12(9)15)21(17,18)16-10(2)11-4-5-20-8-11/h4-8,10,16H,15H2,1-3H3.
What are the key properties of 5-amino-2-methoxy-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
5-amino-2-methoxy-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 326.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 79962257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).