N-(4-methoxyphenyl)-N-thiophen-2-ylsulfonylacetamide

C13H13NO4S2 — CID 701367

IUPACN-(4-methoxyphenyl)-N-thiophen-2-ylsulfonylacetamide
SMILESCOc1ccc(N(C(C)=O)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C13H13NO4S2/c1-10(15)14(11-5-7-12(18-2)8-6-11)20(16,17)13-4-3-9-19-13/h3-9H,1-2H3
InChIKeyGYNMRIJLMFFWTJ-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.50
Rot. Bonds4

About N-(4-methoxyphenyl)-N-thiophen-2-ylsulfonylacetamide

N-(4-methoxyphenyl)-N-thiophen-2-ylsulfonylacetamide (PubChem CID 701367) has the molecular formula C13H13NO4S2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-thiophen-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-thiophen-2-ylsulfonylacetamide
PubChem CID701367
Molecular FormulaC13H13NO4S2
Molecular Weight311.38 g/mol
Exact Mass311.03
IUPAC NameN-(4-methoxyphenyl)-N-thiophen-2-ylsulfonylacetamide
SMILESCOc1ccc(N(C(C)=O)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C13H13NO4S2/c1-10(15)14(11-5-7-12(18-2)8-6-11)20(16,17)13-4-3-9-19-13/h3-9H,1-2H3
InChIKeyGYNMRIJLMFFWTJ-UHFFFAOYSA-N
XLogP2.50
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-thiophen-2-ylsulfonylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-N-thiophen-2-ylsulfonylacetamide (CID 701367) is N-(4-methoxyphenyl)-N-thiophen-2-ylsulfonylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-thiophen-2-ylsulfonylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-thiophen-2-ylsulfonylacetamide is COc1ccc(N(C(C)=O)S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-thiophen-2-ylsulfonylacetamide?
The InChIKey is GYNMRIJLMFFWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S2/c1-10(15)14(11-5-7-12(18-2)8-6-11)20(16,17)13-4-3-9-19-13/h3-9H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-thiophen-2-ylsulfonylacetamide?
N-(4-methoxyphenyl)-N-thiophen-2-ylsulfonylacetamide has a molecular weight of 311.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-thiophen-2-ylsulfonylacetamide is sourced from PubChem (CID 701367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).