N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide

C22H19N3O2S4 — CID 55436475

IUPACN-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3SCc3cccs3)n2)s1
InChIInChI=1S/C22H19N3O2S4/c1-14(26)23-11-15-8-9-20(31-15)18-13-30-22(24-18)25-21(27)17-6-2-3-7-19(17)29-12-16-5-4-10-28-16/h2-10,13H,11-12H2,1H3,(H,23,26)(H,24,25,27)
InChIKeyPTICXAYNVJUYLS-UHFFFAOYSA-N
MW485.68 g/mol
LogP6.11
Rot. Bonds8

About N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide (PubChem CID 55436475) has the molecular formula C22H19N3O2S4 and a molecular weight of 485.68 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
PubChem CID55436475
Molecular FormulaC22H19N3O2S4
Molecular Weight485.68 g/mol
Exact Mass485.04
IUPAC NameN-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3SCc3cccs3)n2)s1
InChIInChI=1S/C22H19N3O2S4/c1-14(26)23-11-15-8-9-20(31-15)18-13-30-22(24-18)25-21(27)17-6-2-3-7-19(17)29-12-16-5-4-10-28-16/h2-10,13H,11-12H2,1H3,(H,23,26)(H,24,25,27)
InChIKeyPTICXAYNVJUYLS-UHFFFAOYSA-N
XLogP6.11
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.68
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 24570162
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide
CID 55372945
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(2-cyanophenyl)benzamide
CID 33002723
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(N-methylanilino)benzamide
CID 55756263
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 55756242
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 24591137
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 112771352
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide
CID 55668720
N-(3-acetamidophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 24513660
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 55543342
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55520765
N-[[5-[2-[(N'-methylcarbamimidoyl)amino]-1,3-thiazol-4-yl]thiophen-2-yl]methyl]acetamide
CID 67849968

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide (CID 55436475) is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide is CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3SCc3cccs3)n2)s1.
What is the InChIKey of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The InChIKey is PTICXAYNVJUYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S4/c1-14(26)23-11-15-8-9-20(31-15)18-13-30-22(24-18)25-21(27)17-6-2-3-7-19(17)29-12-16-5-4-10-28-16/h2-10,13H,11-12H2,1H3,(H,23,26)(H,24,25,27).
What are the key properties of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide has a molecular weight of 485.68 g/mol, XLogP of 6.11, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 55436475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).