N-(3-cyanothiophen-2-yl)-3-(4-methylphenyl)sulfonylpropanamide

C15H14N2O3S2 — CID 24979929

IUPACN-(3-cyanothiophen-2-yl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2sccc2C#N)cc1
InChIInChI=1S/C15H14N2O3S2/c1-11-2-4-13(5-3-11)22(19,20)9-7-14(18)17-15-12(10-16)6-8-21-15/h2-6,8H,7,9H2,1H3,(H,17,18)
InChIKeyOPWQVMMPJMFZSA-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.73
Rot. Bonds5

About N-(3-cyanothiophen-2-yl)-3-(4-methylphenyl)sulfonylpropanamide

N-(3-cyanothiophen-2-yl)-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 24979929) has the molecular formula C15H14N2O3S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID24979929
Molecular FormulaC15H14N2O3S2
Molecular Weight334.42 g/mol
Exact Mass334.04
IUPAC NameN-(3-cyanothiophen-2-yl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2sccc2C#N)cc1
InChIInChI=1S/C15H14N2O3S2/c1-11-2-4-13(5-3-11)22(19,20)9-7-14(18)17-15-12(10-16)6-8-21-15/h2-6,8H,7,9H2,1H3,(H,17,18)
InChIKeyOPWQVMMPJMFZSA-UHFFFAOYSA-N
XLogP2.73
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-(4-methylphenyl)sulfonylpropanamide (CID 24979929) is N-(3-cyanothiophen-2-yl)-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2sccc2C#N)cc1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is OPWQVMMPJMFZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S2/c1-11-2-4-13(5-3-11)22(19,20)9-7-14(18)17-15-12(10-16)6-8-21-15/h2-6,8H,7,9H2,1H3,(H,17,18).
What are the key properties of N-(3-cyanothiophen-2-yl)-3-(4-methylphenyl)sulfonylpropanamide?
N-(3-cyanothiophen-2-yl)-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 334.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 24979929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).