N-(4-cyanophenyl)-2-thiophen-2-ylsulfonylpropanamide

C14H12N2O3S2 — CID 64690575

IUPACN-(4-cyanophenyl)-2-thiophen-2-ylsulfonylpropanamide
SMILESCC(C(=O)Nc1ccc(C#N)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H12N2O3S2/c1-10(21(18,19)13-3-2-8-20-13)14(17)16-12-6-4-11(9-15)5-7-12/h2-8,10H,1H3,(H,16,17)
InChIKeyJPQZFJUUFZJRMR-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.42
Rot. Bonds4

About N-(4-cyanophenyl)-2-thiophen-2-ylsulfonylpropanamide

N-(4-cyanophenyl)-2-thiophen-2-ylsulfonylpropanamide (PubChem CID 64690575) has the molecular formula C14H12N2O3S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-thiophen-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-thiophen-2-ylsulfonylpropanamide
PubChem CID64690575
Molecular FormulaC14H12N2O3S2
Molecular Weight320.40 g/mol
Exact Mass320.03
IUPAC NameN-(4-cyanophenyl)-2-thiophen-2-ylsulfonylpropanamide
SMILESCC(C(=O)Nc1ccc(C#N)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H12N2O3S2/c1-10(21(18,19)13-3-2-8-20-13)14(17)16-12-6-4-11(9-15)5-7-12/h2-8,10H,1H3,(H,16,17)
InChIKeyJPQZFJUUFZJRMR-UHFFFAOYSA-N
XLogP2.42
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-thiophen-2-ylsulfonylpropanamide?
The IUPAC name of N-(4-cyanophenyl)-2-thiophen-2-ylsulfonylpropanamide (CID 64690575) is N-(4-cyanophenyl)-2-thiophen-2-ylsulfonylpropanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-thiophen-2-ylsulfonylpropanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-thiophen-2-ylsulfonylpropanamide is CC(C(=O)Nc1ccc(C#N)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(4-cyanophenyl)-2-thiophen-2-ylsulfonylpropanamide?
The InChIKey is JPQZFJUUFZJRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S2/c1-10(21(18,19)13-3-2-8-20-13)14(17)16-12-6-4-11(9-15)5-7-12/h2-8,10H,1H3,(H,16,17).
What are the key properties of N-(4-cyanophenyl)-2-thiophen-2-ylsulfonylpropanamide?
N-(4-cyanophenyl)-2-thiophen-2-ylsulfonylpropanamide has a molecular weight of 320.40 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-thiophen-2-ylsulfonylpropanamide is sourced from PubChem (CID 64690575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).