N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide

C21H22N2O4S — CID 2671893

IUPACN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)N(c2ccccc2)c2nc(C)cs2)cc(OC)c1OC
InChIInChI=1S/C21H22N2O4S/c1-14-13-28-21(22-14)23(16-8-6-5-7-9-16)19(24)12-15-10-17(25-2)20(27-4)18(11-15)26-3/h5-11,13H,12H2,1-4H3
InChIKeyZFZJFBIVCRIOSP-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.38
Rot. Bonds7

About N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide

N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 2671893) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID2671893
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)N(c2ccccc2)c2nc(C)cs2)cc(OC)c1OC
InChIInChI=1S/C21H22N2O4S/c1-14-13-28-21(22-14)23(16-8-6-5-7-9-16)19(24)12-15-10-17(25-2)20(27-4)18(11-15)26-3/h5-11,13H,12H2,1-4H3
InChIKeyZFZJFBIVCRIOSP-UHFFFAOYSA-N
XLogP4.38
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 55360254
2-(2-methoxy-4-prop-2-enylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 16549645
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 7917606
2,5-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide
CID 43024651
2-(2,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 42999079
N-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide
CID 78778253
(E)-3-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
CID 26176537
4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbutanamide
CID 112765245
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 46586329
5-ethoxy-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-nitro-N-phenylbenzamide
CID 34053297
2-(3-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 7917594
N',N'-diphenyl-2-(3,4,5-trimethoxyphenyl)acetohydrazide
CID 7927150

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide (CID 2671893) is N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)N(c2ccccc2)c2nc(C)cs2)cc(OC)c1OC.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is ZFZJFBIVCRIOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-14-13-28-21(22-14)23(16-8-6-5-7-9-16)19(24)12-15-10-17(25-2)20(27-4)18(11-15)26-3/h5-11,13H,12H2,1-4H3.
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 398.48 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 2671893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).