N-(2-methyl-6-propan-2-ylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide

C22H24N2OS2 — CID 55570763

IUPACN-(2-methyl-6-propan-2-ylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CSCc1csc(-c2ccccc2)n1
InChIInChI=1S/C22H24N2OS2/c1-15(2)19-11-7-8-16(3)21(19)24-20(25)14-26-12-18-13-27-22(23-18)17-9-5-4-6-10-17/h4-11,13,15H,12,14H2,1-3H3,(H,24,25)
InChIKeyYBXMOZKXTLIDFP-UHFFFAOYSA-N
MW396.58 g/mol
LogP6.11
Rot. Bonds7

About N-(2-methyl-6-propan-2-ylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide

N-(2-methyl-6-propan-2-ylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide (PubChem CID 55570763) has the molecular formula C22H24N2OS2 and a molecular weight of 396.58 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
PubChem CID55570763
Molecular FormulaC22H24N2OS2
Molecular Weight396.58 g/mol
Exact Mass396.13
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CSCc1csc(-c2ccccc2)n1
InChIInChI=1S/C22H24N2OS2/c1-15(2)19-11-7-8-16(3)21(19)24-20(25)14-26-12-18-13-27-22(23-18)17-9-5-4-6-10-17/h4-11,13,15H,12,14H2,1-3H3,(H,24,25)
InChIKeyYBXMOZKXTLIDFP-UHFFFAOYSA-N
XLogP6.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 16561751
2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 46581013
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 16560695
N-(3-bromophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 99192094
N-(3-acetylphenyl)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38627971
2-(2-amino-1,3-thiazol-4-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 62796221
N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 84603565
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 100719936
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 16545595
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 35501492
2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 7574872
2-(2-fluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2591845

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide (CID 55570763) is N-(2-methyl-6-propan-2-ylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide is Cc1cccc(C(C)C)c1NC(=O)CSCc1csc(-c2ccccc2)n1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is YBXMOZKXTLIDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS2/c1-15(2)19-11-7-8-16(3)21(19)24-20(25)14-26-12-18-13-27-22(23-18)17-9-5-4-6-10-17/h4-11,13,15H,12,14H2,1-3H3,(H,24,25).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
N-(2-methyl-6-propan-2-ylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 396.58 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 55570763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).