N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylphenyl)sulfonylpropanamide

C16H20N2O3S2 — CID 91762704

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCCc1nc(CNC(=O)CCS(=O)(=O)c2ccc(C)cc2)cs1
InChIInChI=1S/C16H20N2O3S2/c1-3-16-18-13(11-22-16)10-17-15(19)8-9-23(20,21)14-6-4-12(2)5-7-14/h4-7,11H,3,8-10H2,1-2H3,(H,17,19)
InChIKeyCALACBIQASPJTJ-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.49
Rot. Bonds7

About N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylphenyl)sulfonylpropanamide

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 91762704) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID91762704
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCCc1nc(CNC(=O)CCS(=O)(=O)c2ccc(C)cc2)cs1
InChIInChI=1S/C16H20N2O3S2/c1-3-16-18-13(11-22-16)10-17-15(19)8-9-23(20,21)14-6-4-12(2)5-7-14/h4-7,11H,3,8-10H2,1-2H3,(H,17,19)
InChIKeyCALACBIQASPJTJ-UHFFFAOYSA-N
XLogP2.49
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylphenyl)sulfonylpropanamide (CID 91762704) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylphenyl)sulfonylpropanamide is CCc1nc(CNC(=O)CCS(=O)(=O)c2ccc(C)cc2)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is CALACBIQASPJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c1-3-16-18-13(11-22-16)10-17-15(19)8-9-23(20,21)14-6-4-12(2)5-7-14/h4-7,11H,3,8-10H2,1-2H3,(H,17,19).
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylphenyl)sulfonylpropanamide?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 352.48 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 91762704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).