N-[(4-chlorophenyl)methyl]-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide

C20H19ClN2O2S2 — CID 55570036

IUPACN-[(4-chlorophenyl)methyl]-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
SMILESCOc1cccc(-c2nc(CSCC(=O)NCc3ccc(Cl)cc3)cs2)c1
InChIInChI=1S/C20H19ClN2O2S2/c1-25-18-4-2-3-15(9-18)20-23-17(12-27-20)11-26-13-19(24)22-10-14-5-7-16(21)8-6-14/h2-9,12H,10-11,13H2,1H3,(H,22,24)
InChIKeyWUHWCVFMPZOBAU-UHFFFAOYSA-N
MW418.97 g/mol
LogP5.02
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide

N-[(4-chlorophenyl)methyl]-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide (PubChem CID 55570036) has the molecular formula C20H19ClN2O2S2 and a molecular weight of 418.97 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
PubChem CID55570036
Molecular FormulaC20H19ClN2O2S2
Molecular Weight418.97 g/mol
Exact Mass418.06
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
SMILESCOc1cccc(-c2nc(CSCC(=O)NCc3ccc(Cl)cc3)cs2)c1
InChIInChI=1S/C20H19ClN2O2S2/c1-25-18-4-2-3-15(9-18)20-23-17(12-27-20)11-26-13-19(24)22-10-14-5-7-16(21)8-6-14/h2-9,12H,10-11,13H2,1H3,(H,22,24)
InChIKeyWUHWCVFMPZOBAU-UHFFFAOYSA-N
XLogP5.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.97
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 55570324
N-(2-fluorophenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 84603566
N-(cyclopropylmethyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 60541980
N-(2,3-dichlorophenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 46581033
N-(2,5-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38629529
2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 29132130
N-benzyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38636174
N-(5-chloro-2-methylphenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
CID 55569744
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7882402
4-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 16505758
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 50874751
2-(4-methoxyphenyl)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 17164148

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide (CID 55570036) is N-[(4-chlorophenyl)methyl]-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide is COc1cccc(-c2nc(CSCC(=O)NCc3ccc(Cl)cc3)cs2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide?
The InChIKey is WUHWCVFMPZOBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S2/c1-25-18-4-2-3-15(9-18)20-23-17(12-27-20)11-26-13-19(24)22-10-14-5-7-16(21)8-6-14/h2-9,12H,10-11,13H2,1H3,(H,22,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide has a molecular weight of 418.97 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 55570036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).