N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide

C13H16N2O3S2 — CID 9204451

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C13H16N2O3S2/c1-10-2-4-11(5-3-10)20(17,18)9-6-12(16)15-13-14-7-8-19-13/h2-5H,6-9H2,1H3,(H,14,15,16)
InChIKeyWOUAUEDUGLVNOE-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.38
Rot. Bonds4

About N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 9204451) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID9204451
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C13H16N2O3S2/c1-10-2-4-11(5-3-10)20(17,18)9-6-12(16)15-13-14-7-8-19-13/h2-5H,6-9H2,1H3,(H,14,15,16)
InChIKeyWOUAUEDUGLVNOE-UHFFFAOYSA-N
XLogP1.38
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide (CID 9204451) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)NC2=NCCS2)cc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is WOUAUEDUGLVNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-10-2-4-11(5-3-10)20(17,18)9-6-12(16)15-13-14-7-8-19-13/h2-5H,6-9H2,1H3,(H,14,15,16).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 312.42 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 9204451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).