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

C24H21N3O2S3 — CID 24570162

IUPACN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3SCc3cccs3)n2)cc1
InChIInChI=1S/C24H21N3O2S3/c1-16(28)25-13-17-8-10-18(11-9-17)21-15-32-24(26-21)27-23(29)20-6-2-3-7-22(20)31-14-19-5-4-12-30-19/h2-12,15H,13-14H2,1H3,(H,25,28)(H,26,27,29)
InChIKeyTXCAWXMAFKEQQE-UHFFFAOYSA-N
MW479.65 g/mol
LogP6.05
Rot. Bonds8

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

N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide (PubChem CID 24570162) has the molecular formula C24H21N3O2S3 and a molecular weight of 479.65 g/mol. Its IUPAC name is N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
PubChem CID24570162
Molecular FormulaC24H21N3O2S3
Molecular Weight479.65 g/mol
Exact Mass479.08
IUPAC NameN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3SCc3cccs3)n2)cc1
InChIInChI=1S/C24H21N3O2S3/c1-16(28)25-13-17-8-10-18(11-9-17)21-15-32-24(26-21)27-23(29)20-6-2-3-7-22(20)31-14-19-5-4-12-30-19/h2-12,15H,13-14H2,1H3,(H,25,28)(H,26,27,29)
InChIKeyTXCAWXMAFKEQQE-UHFFFAOYSA-N
XLogP6.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.65
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 55436475
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,4-dimethylbenzoyl)benzamide
CID 25483703
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 42568023
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 108762419
4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46820023
4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide
CID 46629026
2-(thiophen-2-ylmethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 24533628
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
1-N,2-N-bis[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 5237170
2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 41154127
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 24597214

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide (CID 24570162) is N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide is CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3SCc3cccs3)n2)cc1.
What is the InChIKey of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The InChIKey is TXCAWXMAFKEQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S3/c1-16(28)25-13-17-8-10-18(11-9-17)21-15-32-24(26-21)27-23(29)20-6-2-3-7-22(20)31-14-19-5-4-12-30-19/h2-12,15H,13-14H2,1H3,(H,25,28)(H,26,27,29).
What are the key properties of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide has a molecular weight of 479.65 g/mol, XLogP of 6.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 24570162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).