4-[(4-methyl-1,2,5-thiadiazol-3-yl)methoxy]-N-(1-phenylethyl)benzamide

C19H19N3O2S — CID 75767617

IUPAC4-[(4-methyl-1,2,5-thiadiazol-3-yl)methoxy]-N-(1-phenylethyl)benzamide
SMILESCc1nsnc1COc1ccc(C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C19H19N3O2S/c1-13(15-6-4-3-5-7-15)20-19(23)16-8-10-17(11-9-16)24-12-18-14(2)21-25-22-18/h3-11,13H,12H2,1-2H3,(H,20,23)
InChIKeyDBQLKAIRPBAAOO-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.92
Rot. Bonds6

About 4-[(4-methyl-1,2,5-thiadiazol-3-yl)methoxy]-N-(1-phenylethyl)benzamide

4-[(4-methyl-1,2,5-thiadiazol-3-yl)methoxy]-N-(1-phenylethyl)benzamide (PubChem CID 75767617) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 4-[(4-methyl-1,2,5-thiadiazol-3-yl)methoxy]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[(4-methyl-1,2,5-thiadiazol-3-yl)methoxy]-N-(1-phenylethyl)benzamide
PubChem CID75767617
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name4-[(4-methyl-1,2,5-thiadiazol-3-yl)methoxy]-N-(1-phenylethyl)benzamide
SMILESCc1nsnc1COc1ccc(C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C19H19N3O2S/c1-13(15-6-4-3-5-7-15)20-19(23)16-8-10-17(11-9-16)24-12-18-14(2)21-25-22-18/h3-11,13H,12H2,1-2H3,(H,20,23)
InChIKeyDBQLKAIRPBAAOO-UHFFFAOYSA-N
XLogP3.92
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(phenoxymethyl)-N-(1-phenylethyl)benzamide
CID 112759831
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846404
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 39952477
[4-[[(1R)-1-phenylethyl]carbamoyl]phenyl] acetate
CID 690409
5-chloro-2-[(4-chlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 141442192
4-methoxy-3-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)benzamide
CID 133150012
2-[[(1R)-1-phenylethyl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one
CID 69303198
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265
4-[[4-(2-phenylethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 43887594
4-[(2-chlorophenyl)methoxy]-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 132763399
N-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 43887555

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,2,5-thiadiazol-3-yl)methoxy]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[(4-methyl-1,2,5-thiadiazol-3-yl)methoxy]-N-(1-phenylethyl)benzamide (CID 75767617) is 4-[(4-methyl-1,2,5-thiadiazol-3-yl)methoxy]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[(4-methyl-1,2,5-thiadiazol-3-yl)methoxy]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[(4-methyl-1,2,5-thiadiazol-3-yl)methoxy]-N-(1-phenylethyl)benzamide is Cc1nsnc1COc1ccc(C(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of 4-[(4-methyl-1,2,5-thiadiazol-3-yl)methoxy]-N-(1-phenylethyl)benzamide?
The InChIKey is DBQLKAIRPBAAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13(15-6-4-3-5-7-15)20-19(23)16-8-10-17(11-9-16)24-12-18-14(2)21-25-22-18/h3-11,13H,12H2,1-2H3,(H,20,23).
What are the key properties of 4-[(4-methyl-1,2,5-thiadiazol-3-yl)methoxy]-N-(1-phenylethyl)benzamide?
4-[(4-methyl-1,2,5-thiadiazol-3-yl)methoxy]-N-(1-phenylethyl)benzamide has a molecular weight of 353.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,2,5-thiadiazol-3-yl)methoxy]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 75767617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).