N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-ethylsulfinylbenzamide

C20H19N3O3S2 — CID 112772045

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-ethylsulfinylbenzamide
SMILESCCS(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1
InChIInChI=1S/C20H19N3O3S2/c1-3-28(26)18-7-5-4-6-16(18)19(25)23-20-22-17(12-27-20)14-8-10-15(11-9-14)21-13(2)24/h4-12H,3H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyLNJMJPAMASMVNT-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.15
Rot. Bonds6

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-ethylsulfinylbenzamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-ethylsulfinylbenzamide (PubChem CID 112772045) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-ethylsulfinylbenzamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-ethylsulfinylbenzamide
PubChem CID112772045
Molecular FormulaC20H19N3O3S2
Molecular Weight413.52 g/mol
Exact Mass413.09
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-ethylsulfinylbenzamide
SMILESCCS(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1
InChIInChI=1S/C20H19N3O3S2/c1-3-28(26)18-7-5-4-6-16(18)19(25)23-20-22-17(12-27-20)14-8-10-15(11-9-14)21-13(2)24/h4-12H,3H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyLNJMJPAMASMVNT-UHFFFAOYSA-N
XLogP4.15
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 9166885
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 26893874
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
CID 52893209
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 2715669
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 26893941
4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 2090772
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5083822
2-phenoxy-N-[4-[2-[(2-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 4138513
N-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide
CID 3650326

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-ethylsulfinylbenzamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-ethylsulfinylbenzamide (CID 112772045) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-ethylsulfinylbenzamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-ethylsulfinylbenzamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-ethylsulfinylbenzamide is CCS(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-ethylsulfinylbenzamide?
The InChIKey is LNJMJPAMASMVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c1-3-28(26)18-7-5-4-6-16(18)19(25)23-20-22-17(12-27-20)14-8-10-15(11-9-14)21-13(2)24/h4-12H,3H2,1-2H3,(H,21,24)(H,22,23,25).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-ethylsulfinylbenzamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-ethylsulfinylbenzamide has a molecular weight of 413.52 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-ethylsulfinylbenzamide is sourced from PubChem (CID 112772045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).