N-(3-amino-4-methoxyphenyl)-N-ethylthiophene-2-sulfonamide

C13H16N2O3S2 — CID 39452560

IUPACN-(3-amino-4-methoxyphenyl)-N-ethylthiophene-2-sulfonamide
SMILESCCN(c1ccc(OC)c(N)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H16N2O3S2/c1-3-15(20(16,17)13-5-4-8-19-13)10-6-7-12(18-2)11(14)9-10/h4-9H,3,14H2,1-2H3
InChIKeyULSZLCBAKJUMHJ-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.55
Rot. Bonds5

About N-(3-amino-4-methoxyphenyl)-N-ethylthiophene-2-sulfonamide

N-(3-amino-4-methoxyphenyl)-N-ethylthiophene-2-sulfonamide (PubChem CID 39452560) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-N-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-N-ethylthiophene-2-sulfonamide
PubChem CID39452560
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC NameN-(3-amino-4-methoxyphenyl)-N-ethylthiophene-2-sulfonamide
SMILESCCN(c1ccc(OC)c(N)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H16N2O3S2/c1-3-15(20(16,17)13-5-4-8-19-13)10-6-7-12(18-2)11(14)9-10/h4-9H,3,14H2,1-2H3
InChIKeyULSZLCBAKJUMHJ-UHFFFAOYSA-N
XLogP2.55
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-sulfonamide
CID 100550390
N-(4-bromo-3-chlorophenyl)-N-ethylthiophene-2-sulfonamide
CID 100551123
N-(2-aminophenyl)-N-ethylthiophene-2-sulfonamide
CID 62102311
N-ethyl-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
CID 100550599
methyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548774
N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethylthiophene-2-sulfonamide
CID 100550027
N-(3-chloro-4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100549879
3-amino-4-[ethyl(thiophen-2-ylsulfonyl)amino]benzoic acid
CID 63119138
N-ethyl-N-methylthiophene-2-sulfonamide;hydrochloride
CID 130616398
ethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100547151
4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine
CID 30029908
ethyl 2-(2,4,6-trimethyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100550650

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-N-ethylthiophene-2-sulfonamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-N-ethylthiophene-2-sulfonamide (CID 39452560) is N-(3-amino-4-methoxyphenyl)-N-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-N-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-N-ethylthiophene-2-sulfonamide is CCN(c1ccc(OC)c(N)c1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-N-ethylthiophene-2-sulfonamide?
The InChIKey is ULSZLCBAKJUMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-3-15(20(16,17)13-5-4-8-19-13)10-6-7-12(18-2)11(14)9-10/h4-9H,3,14H2,1-2H3.
What are the key properties of N-(3-amino-4-methoxyphenyl)-N-ethylthiophene-2-sulfonamide?
N-(3-amino-4-methoxyphenyl)-N-ethylthiophene-2-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-N-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 39452560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).