2-methoxy-N-[(3-phenylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)acetamide

C20H20N2O2S — CID 4662287

IUPAC2-methoxy-N-[(3-phenylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCOCC(=O)N(Cc1cccc(-c2ccccc2)c1)Cc1nccs1
InChIInChI=1S/C20H20N2O2S/c1-24-15-20(23)22(14-19-21-10-11-25-19)13-16-6-5-9-18(12-16)17-7-3-2-4-8-17/h2-12H,13-15H2,1H3
InChIKeySSZHGZGKKLWVQX-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.99
Rot. Bonds7

About 2-methoxy-N-[(3-phenylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)acetamide

2-methoxy-N-[(3-phenylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 4662287) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-methoxy-N-[(3-phenylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(3-phenylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID4662287
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name2-methoxy-N-[(3-phenylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCOCC(=O)N(Cc1cccc(-c2ccccc2)c1)Cc1nccs1
InChIInChI=1S/C20H20N2O2S/c1-24-15-20(23)22(14-19-21-10-11-25-19)13-16-6-5-9-18(12-16)17-7-3-2-4-8-17/h2-12H,13-15H2,1H3
InChIKeySSZHGZGKKLWVQX-UHFFFAOYSA-N
XLogP3.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 77094415
N-benzyl-2-methoxy-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 46141678
N-benzyl-N-methyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372097
N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine
CID 173380030
[2-(dibenzylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 7504988
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxy-N-[(2-phenylphenyl)methyl]acetamide
CID 42796369
N-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 50960994
N-benzyl-2-methoxy-N-pyridin-2-ylacetamide
CID 798237
N-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide
CID 42780816
4-[3-[[benzyl(3-phenylpropanoyl)amino]methyl]phenyl]benzoic acid
CID 11705513
N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 46992210
propyl(1,3-thiazol-2-ylmethyl)carbamic acid
CID 69435143

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-phenylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of 2-methoxy-N-[(3-phenylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 4662287) is 2-methoxy-N-[(3-phenylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-methoxy-N-[(3-phenylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-methoxy-N-[(3-phenylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)acetamide is COCC(=O)N(Cc1cccc(-c2ccccc2)c1)Cc1nccs1.
What is the InChIKey of 2-methoxy-N-[(3-phenylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is SSZHGZGKKLWVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-24-15-20(23)22(14-19-21-10-11-25-19)13-16-6-5-9-18(12-16)17-7-3-2-4-8-17/h2-12H,13-15H2,1H3.
What are the key properties of 2-methoxy-N-[(3-phenylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
2-methoxy-N-[(3-phenylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 352.46 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3-phenylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 4662287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).