N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide

C18H21NO2S — CID 18200468

IUPACN-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1ccccc1SC
InChIInChI=1S/C18H21NO2S/c1-12-9-10-16(21-3)15(11-12)13(2)19-18(20)14-7-5-6-8-17(14)22-4/h5-11,13H,1-4H3,(H,19,20)
InChIKeyPNMUIKKKTQRULS-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.22
Rot. Bonds5

About N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide

N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide (PubChem CID 18200468) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide
PubChem CID18200468
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1ccccc1SC
InChIInChI=1S/C18H21NO2S/c1-12-9-10-16(21-3)15(11-12)13(2)19-18(20)14-7-5-6-8-17(14)22-4/h5-11,13H,1-4H3,(H,19,20)
InChIKeyPNMUIKKKTQRULS-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
2-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212488
2-[(4-cyanophenyl)methylsulfanyl]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 8895673
2,4-dimethoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 17467082
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 2473869
3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262765
3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212297
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249
N-[1-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide
CID 78771297
3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-4-carboxamide
CID 115645589
2-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111879
2-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794579

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide (CID 18200468) is N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide is COc1ccc(C)cc1C(C)NC(=O)c1ccccc1SC.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide?
The InChIKey is PNMUIKKKTQRULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-12-9-10-16(21-3)15(11-12)13(2)19-18(20)14-7-5-6-8-17(14)22-4/h5-11,13H,1-4H3,(H,19,20).
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide?
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide has a molecular weight of 315.44 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 18200468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).