2-methoxy-4-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide

C21H22N2O2S2 — CID 16568153

IUPAC2-methoxy-4-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
SMILESCOc1cc(SC)ccc1C(=O)NCCc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C21H22N2O2S2/c1-14-23-19(13-27-14)16-6-4-15(5-7-16)10-11-22-21(24)18-9-8-17(26-3)12-20(18)25-2/h4-9,12-13H,10-11H2,1-3H3,(H,22,24)
InChIKeyUQAJPMCNCUHFPW-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.82
Rot. Bonds7

About 2-methoxy-4-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide

2-methoxy-4-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide (PubChem CID 16568153) has the molecular formula C21H22N2O2S2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-methoxy-4-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-4-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
PubChem CID16568153
Molecular FormulaC21H22N2O2S2
Molecular Weight398.55 g/mol
Exact Mass398.11
IUPAC Name2-methoxy-4-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
SMILESCOc1cc(SC)ccc1C(=O)NCCc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C21H22N2O2S2/c1-14-23-19(13-27-14)16-6-4-15(5-7-16)10-11-22-21(24)18-9-8-17(26-3)12-20(18)25-2/h4-9,12-13H,10-11H2,1-3H3,(H,22,24)
InChIKeyUQAJPMCNCUHFPW-UHFFFAOYSA-N
XLogP4.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434413
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 25401259
4-methoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434098
2,4-dichloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 108725447
2-methoxy-4-methylsulfanyl-N-propylbenzamide
CID 2271058
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 47121427
2-(2-methoxyethoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 108725440
4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568166
2-methoxy-N-[(4-methylphenyl)methyl]-4-methylsulfanylbenzamide
CID 670832
2-(3-methoxyphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 16568180
2-(4-acetyl-2-methoxyphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 16568218
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide?
The IUPAC name of 2-methoxy-4-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide (CID 16568153) is 2-methoxy-4-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2-methoxy-4-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide?
The canonical SMILES for 2-methoxy-4-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide is COc1cc(SC)ccc1C(=O)NCCc1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of 2-methoxy-4-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide?
The InChIKey is UQAJPMCNCUHFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S2/c1-14-23-19(13-27-14)16-6-4-15(5-7-16)10-11-22-21(24)18-9-8-17(26-3)12-20(18)25-2/h4-9,12-13H,10-11H2,1-3H3,(H,22,24).
What are the key properties of 2-methoxy-4-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide?
2-methoxy-4-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide has a molecular weight of 398.55 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 16568153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).