N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-1,3-thiazole-4-carboxamide

C14H16N2O3S2 — CID 86816542

IUPACN-[1-(4-methylphenyl)sulfonylpropan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)CC(C)NC(=O)c2cscn2)cc1
InChIInChI=1S/C14H16N2O3S2/c1-10-3-5-12(6-4-10)21(18,19)8-11(2)16-14(17)13-7-20-9-15-13/h3-7,9,11H,8H2,1-2H3,(H,16,17)
InChIKeyWWTAHBJREJAIRZ-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.04
Rot. Bonds5

About N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-1,3-thiazole-4-carboxamide

N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 86816542) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)sulfonylpropan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID86816542
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC NameN-[1-(4-methylphenyl)sulfonylpropan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)CC(C)NC(=O)c2cscn2)cc1
InChIInChI=1S/C14H16N2O3S2/c1-10-3-5-12(6-4-10)21(18,19)8-11(2)16-14(17)13-7-20-9-15-13/h3-7,9,11H,8H2,1-2H3,(H,16,17)
InChIKeyWWTAHBJREJAIRZ-UHFFFAOYSA-N
XLogP2.04
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-1,3-thiazole-4-carboxamide (CID 86816542) is N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-1,3-thiazole-4-carboxamide is Cc1ccc(S(=O)(=O)CC(C)NC(=O)c2cscn2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is WWTAHBJREJAIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-10-3-5-12(6-4-10)21(18,19)8-11(2)16-14(17)13-7-20-9-15-13/h3-7,9,11H,8H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-1,3-thiazole-4-carboxamide?
N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86816542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).