N-(2-ethyl-6-methylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C20H20N2OS2 — CID 3961676

IUPACN-(2-ethyl-6-methylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCCc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H20N2OS2/c1-3-15-11-7-8-14(2)19(15)22-18(23)13-25-20-21-17(12-24-20)16-9-5-4-6-10-16/h4-12H,3,13H2,1-2H3,(H,22,23)
InChIKeyXVYMYOFJXUPJFQ-UHFFFAOYSA-N
MW368.53 g/mol
LogP5.41
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-(2-ethyl-6-methylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 3961676) has the molecular formula C20H20N2OS2 and a molecular weight of 368.53 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID3961676
Molecular FormulaC20H20N2OS2
Molecular Weight368.53 g/mol
Exact Mass368.10
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCCc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H20N2OS2/c1-3-15-11-7-8-14(2)19(15)22-18(23)13-25-20-21-17(12-24-20)16-9-5-4-6-10-16/h4-12H,3,13H2,1-2H3,(H,22,23)
InChIKeyXVYMYOFJXUPJFQ-UHFFFAOYSA-N
XLogP5.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.53
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3543552
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(2,6-diethylphenyl)acetamide
CID 3923550
N-(2-hydroxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3678775
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 43250244
N-(2-ethyl-6-methylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 1307365
N-(methylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3959134
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3971135
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 4211835
ethyl 4,5-dimethyl-2-[[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
CID 5138406
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]-N',N'-diphenylacetohydrazide
CID 3965817
N-(2,6-dimethylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899626
N-(2-ethyl-6-methylphenyl)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7608087

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 3961676) is N-(2-ethyl-6-methylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide is CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is XVYMYOFJXUPJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS2/c1-3-15-11-7-8-14(2)19(15)22-18(23)13-25-20-21-17(12-24-20)16-9-5-4-6-10-16/h4-12H,3,13H2,1-2H3,(H,22,23).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(2-ethyl-6-methylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 368.53 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3961676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).