3-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide

C13H14N2O3S2 — CID 759096

IUPAC3-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H14N2O3S2/c1-10-2-4-11(5-3-10)20(17,18)9-6-12(16)15-13-14-7-8-19-13/h2-5,7-8H,6,9H2,1H3,(H,14,15,16)
InChIKeyPEPRBUWOPLMUJH-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.25
Rot. Bonds5

About 3-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide

3-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 759096) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID759096
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC Name3-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H14N2O3S2/c1-10-2-4-11(5-3-10)20(17,18)9-6-12(16)15-13-14-7-8-19-13/h2-5,7-8H,6,9H2,1H3,(H,14,15,16)
InChIKeyPEPRBUWOPLMUJH-UHFFFAOYSA-N
XLogP2.25
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide (CID 759096) is 3-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2nccs2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is PEPRBUWOPLMUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-10-2-4-11(5-3-10)20(17,18)9-6-12(16)15-13-14-7-8-19-13/h2-5,7-8H,6,9H2,1H3,(H,14,15,16).
What are the key properties of 3-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide?
3-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 310.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 759096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).