4-amino-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-sulfonamide

C13H16N2O3S2 — CID 107843596

IUPAC4-amino-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-sulfonamide
SMILESCOc1cccc(CCNS(=O)(=O)c2cc(N)cs2)c1
InChIInChI=1S/C13H16N2O3S2/c1-18-12-4-2-3-10(7-12)5-6-15-20(16,17)13-8-11(14)9-19-13/h2-4,7-9,15H,5-6,14H2,1H3
InChIKeyXWFKWTSYNGXVLM-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.86
Rot. Bonds6

About 4-amino-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-sulfonamide

4-amino-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 107843596) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-amino-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-sulfonamide
PubChem CID107843596
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC Name4-amino-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-sulfonamide
SMILESCOc1cccc(CCNS(=O)(=O)c2cc(N)cs2)c1
InChIInChI=1S/C13H16N2O3S2/c1-18-12-4-2-3-10(7-12)5-6-15-20(16,17)13-8-11(14)9-19-13/h2-4,7-9,15H,5-6,14H2,1H3
InChIKeyXWFKWTSYNGXVLM-UHFFFAOYSA-N
XLogP1.86
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide
CID 61298806
4-amino-N-(2-methoxyethyl)thiophene-2-sulfonamide
CID 61301299
4-amino-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 107856245
4-amino-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 63362655
N-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113098177
3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3731467
4-amino-N-[2-(methanesulfonamido)ethyl]thiophene-2-sulfonamide
CID 61299780
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 107212436
4-amino-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 62990765
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]thiophene-2-sulfonamide
CID 112983618
5,6-dichloro-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 110295030
3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028648

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-sulfonamide (CID 107843596) is 4-amino-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-sulfonamide is COc1cccc(CCNS(=O)(=O)c2cc(N)cs2)c1.
What is the InChIKey of 4-amino-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is XWFKWTSYNGXVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-18-12-4-2-3-10(7-12)5-6-15-20(16,17)13-8-11(14)9-19-13/h2-4,7-9,15H,5-6,14H2,1H3.
What are the key properties of 4-amino-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-sulfonamide?
4-amino-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 107843596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).