4-[(3-methylnaphthalen-1-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide

C23H21N3O3S — CID 143651214

IUPAC4-[(3-methylnaphthalen-1-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide
SMILESCc1cc(COc2ccc(C(=O)NCCc3n[nH]c(=O)s3)cc2)c2ccccc2c1
InChIInChI=1S/C23H21N3O3S/c1-15-12-17-4-2-3-5-20(17)18(13-15)14-29-19-8-6-16(7-9-19)22(27)24-11-10-21-25-26-23(28)30-21/h2-9,12-13H,10-11,14H2,1H3,(H,24,27)(H,26,28)
InChIKeyCNVRLXCBQALWBT-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.84
Rot. Bonds7

About 4-[(3-methylnaphthalen-1-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide

4-[(3-methylnaphthalen-1-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide (PubChem CID 143651214) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 4-[(3-methylnaphthalen-1-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(3-methylnaphthalen-1-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide
PubChem CID143651214
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name4-[(3-methylnaphthalen-1-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide
SMILESCc1cc(COc2ccc(C(=O)NCCc3n[nH]c(=O)s3)cc2)c2ccccc2c1
InChIInChI=1S/C23H21N3O3S/c1-15-12-17-4-2-3-5-20(17)18(13-15)14-29-19-8-6-16(7-9-19)22(27)24-11-10-21-25-26-23(28)30-21/h2-9,12-13H,10-11,14H2,1H3,(H,24,27)(H,26,28)
InChIKeyCNVRLXCBQALWBT-UHFFFAOYSA-N
XLogP3.84
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-methoxyquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide
CID 143650677
4-[(2,5-dimethylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide
CID 143651192
4-[(2-methylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)-2-phenylethyl]benzamide
CID 143650504
N-[5-anilino-5-oxo-1-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pentan-2-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 143651052
N-[[1-methyl-4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 143650486
4-[(2-methylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)cyclobutyl]benzamide
CID 143650607
4-[(2-methylquinolin-4-yl)methoxy]-N-[6-(2-oxo-3H-1,3,4-thiadiazol-5-yl)cyclohex-3-en-1-yl]benzamide
CID 143650546
4-(naphthalen-1-ylmethoxy)benzohydrazide
CID 91683225
N-[1-benzoyl-3-(2-oxo-3H-1,3,4-thiadiazol-5-yl)piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 143650481
4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767880
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46105822
4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3H-phthalazine-1-carboxamide
CID 60517905

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylnaphthalen-1-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-[(3-methylnaphthalen-1-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide (CID 143651214) is 4-[(3-methylnaphthalen-1-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-[(3-methylnaphthalen-1-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-[(3-methylnaphthalen-1-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide is Cc1cc(COc2ccc(C(=O)NCCc3n[nH]c(=O)s3)cc2)c2ccccc2c1.
What is the InChIKey of 4-[(3-methylnaphthalen-1-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide?
The InChIKey is CNVRLXCBQALWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-15-12-17-4-2-3-5-20(17)18(13-15)14-29-19-8-6-16(7-9-19)22(27)24-11-10-21-25-26-23(28)30-21/h2-9,12-13H,10-11,14H2,1H3,(H,24,27)(H,26,28).
What are the key properties of 4-[(3-methylnaphthalen-1-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide?
4-[(3-methylnaphthalen-1-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide has a molecular weight of 419.51 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylnaphthalen-1-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 143651214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).