N-methyl-N-(naphthalen-2-ylmethyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

C23H20N2OS2 — CID 36717274

IUPACN-methyl-N-(naphthalen-2-ylmethyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)c1ccccc1SCc1cscn1
InChIInChI=1S/C23H20N2OS2/c1-25(13-17-10-11-18-6-2-3-7-19(18)12-17)23(26)21-8-4-5-9-22(21)28-15-20-14-27-16-24-20/h2-12,14,16H,13,15H2,1H3
InChIKeyMRXXRFRXIYOYEF-UHFFFAOYSA-N
MW404.56 g/mol
LogP5.86
Rot. Bonds6

About N-methyl-N-(naphthalen-2-ylmethyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

N-methyl-N-(naphthalen-2-ylmethyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (PubChem CID 36717274) has the molecular formula C23H20N2OS2 and a molecular weight of 404.56 g/mol. Its IUPAC name is N-methyl-N-(naphthalen-2-ylmethyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-(naphthalen-2-ylmethyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
PubChem CID36717274
Molecular FormulaC23H20N2OS2
Molecular Weight404.56 g/mol
Exact Mass404.10
IUPAC NameN-methyl-N-(naphthalen-2-ylmethyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)c1ccccc1SCc1cscn1
InChIInChI=1S/C23H20N2OS2/c1-25(13-17-10-11-18-6-2-3-7-19(18)12-17)23(26)21-8-4-5-9-22(21)28-15-20-14-27-16-24-20/h2-12,14,16H,13,15H2,1H3
InChIKeyMRXXRFRXIYOYEF-UHFFFAOYSA-N
XLogP5.86
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 36705049
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 38621418
N-[(4-ethylphenyl)methyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 55504060
2-[2-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119182649
N-[2-(dimethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 47021185
(3,5-dimethylphenyl)methyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 18206166
N-[(3-methylphenyl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 33283315
N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 37491736
N-[2-(4-butoxyphenyl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 55797013
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46454933
N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46476875
N-[2-(diethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46548406

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(naphthalen-2-ylmethyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The IUPAC name of N-methyl-N-(naphthalen-2-ylmethyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (CID 36717274) is N-methyl-N-(naphthalen-2-ylmethyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-methyl-N-(naphthalen-2-ylmethyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-methyl-N-(naphthalen-2-ylmethyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is CN(Cc1ccc2ccccc2c1)C(=O)c1ccccc1SCc1cscn1.
What is the InChIKey of N-methyl-N-(naphthalen-2-ylmethyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The InChIKey is MRXXRFRXIYOYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS2/c1-25(13-17-10-11-18-6-2-3-7-19(18)12-17)23(26)21-8-4-5-9-22(21)28-15-20-14-27-16-24-20/h2-12,14,16H,13,15H2,1H3.
What are the key properties of N-methyl-N-(naphthalen-2-ylmethyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
N-methyl-N-(naphthalen-2-ylmethyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide has a molecular weight of 404.56 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(naphthalen-2-ylmethyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 36717274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).