2-(4-acetamidophenyl)sulfanyl-N-benzyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide

C26H22ClN3O2S2 — CID 16543501

IUPAC2-(4-acetamidophenyl)sulfanyl-N-benzyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)N(Cc2ccccc2)c2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C26H22ClN3O2S2/c1-18(31)28-22-11-13-23(14-12-22)33-17-25(32)30(15-19-5-3-2-4-6-19)26-29-24(16-34-26)20-7-9-21(27)10-8-20/h2-14,16H,15,17H2,1H3,(H,28,31)
InChIKeyNAHUNVYXYOASOH-UHFFFAOYSA-N
MW508.07 g/mol
LogP6.75
Rot. Bonds8

About 2-(4-acetamidophenyl)sulfanyl-N-benzyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide

2-(4-acetamidophenyl)sulfanyl-N-benzyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 16543501) has the molecular formula C26H22ClN3O2S2 and a molecular weight of 508.07 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-benzyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-benzyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID16543501
Molecular FormulaC26H22ClN3O2S2
Molecular Weight508.07 g/mol
Exact Mass507.08
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-benzyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)N(Cc2ccccc2)c2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C26H22ClN3O2S2/c1-18(31)28-22-11-13-23(14-12-22)33-17-25(32)30(15-19-5-3-2-4-6-19)26-29-24(16-34-26)20-7-9-21(27)10-8-20/h2-14,16H,15,17H2,1H3,(H,28,31)
InChIKeyNAHUNVYXYOASOH-UHFFFAOYSA-N
XLogP6.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.07
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 55869601
N-benzyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4819169
N-benzyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 2338408
N-benzyl-2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 3993000
2-(4-acetamidophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 4790020
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 26893874
2-(4-chlorophenyl)sulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19203551
[2-[benzyl-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 2463752
N-benzyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2338414
N-[4-[2-[benzyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
CID 42765930
2-(4-acetamidophenyl)sulfanyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 26301328
1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea
CID 121080622

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-benzyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-benzyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide (CID 16543501) is 2-(4-acetamidophenyl)sulfanyl-N-benzyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-benzyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-benzyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ccc(SCC(=O)N(Cc2ccccc2)c2nc(-c3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-benzyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is NAHUNVYXYOASOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O2S2/c1-18(31)28-22-11-13-23(14-12-22)33-17-25(32)30(15-19-5-3-2-4-6-19)26-29-24(16-34-26)20-7-9-21(27)10-8-20/h2-14,16H,15,17H2,1H3,(H,28,31).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-benzyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
2-(4-acetamidophenyl)sulfanyl-N-benzyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 508.07 g/mol, XLogP of 6.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-benzyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 16543501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).