N-(2-methylphenyl)-2-[[4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]sulfanyl]acetamide

C19H18N2O3S3 — CID 46381994

IUPACN-(2-methylphenyl)-2-[[4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]sulfanyl]acetamide
SMILESCc1ccc(S(=O)(=O)c2ncsc2SCC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C19H18N2O3S3/c1-13-7-9-15(10-8-13)27(23,24)18-19(26-12-20-18)25-11-17(22)21-16-6-4-3-5-14(16)2/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyUWKDMDDKOSQXAR-UHFFFAOYSA-N
MW418.57 g/mol
LogP4.32
Rot. Bonds6

About N-(2-methylphenyl)-2-[[4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]sulfanyl]acetamide

N-(2-methylphenyl)-2-[[4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]sulfanyl]acetamide (PubChem CID 46381994) has the molecular formula C19H18N2O3S3 and a molecular weight of 418.57 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[[4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[[4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]sulfanyl]acetamide
PubChem CID46381994
Molecular FormulaC19H18N2O3S3
Molecular Weight418.57 g/mol
Exact Mass418.05
IUPAC NameN-(2-methylphenyl)-2-[[4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]sulfanyl]acetamide
SMILESCc1ccc(S(=O)(=O)c2ncsc2SCC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C19H18N2O3S3/c1-13-7-9-15(10-8-13)27(23,24)18-19(26-12-20-18)25-11-17(22)21-16-6-4-3-5-14(16)2/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyUWKDMDDKOSQXAR-UHFFFAOYSA-N
XLogP4.32
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-amino-5-(4-methylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 18590439
N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]sulfanyl]acetamide
CID 46381992
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
N-(2-methylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 30897344
(3Z)-3-amino-N-(2-methylphenyl)-3-(4-methylphenyl)sulfonyliminopropanamide
CID 177455956
N-(2-methylphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide
CID 8714061
N-(2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154113
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156
2-[[5-(2,4-dimethylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 27371208
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide
CID 861411
N-(2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 7026017
N-(2-methylphenyl)-2-[[4-(2-methylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 35395894

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[[4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[[4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]sulfanyl]acetamide (CID 46381994) is N-(2-methylphenyl)-2-[[4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[[4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[[4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]sulfanyl]acetamide is Cc1ccc(S(=O)(=O)c2ncsc2SCC(=O)Nc2ccccc2C)cc1.
What is the InChIKey of N-(2-methylphenyl)-2-[[4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]sulfanyl]acetamide?
The InChIKey is UWKDMDDKOSQXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S3/c1-13-7-9-15(10-8-13)27(23,24)18-19(26-12-20-18)25-11-17(22)21-16-6-4-3-5-14(16)2/h3-10,12H,11H2,1-2H3,(H,21,22).
What are the key properties of N-(2-methylphenyl)-2-[[4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]sulfanyl]acetamide?
N-(2-methylphenyl)-2-[[4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]sulfanyl]acetamide has a molecular weight of 418.57 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[[4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 46381994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).