N-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide

C18H21NO2S — CID 880073

IUPACN-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSCc1ccccc1C
InChIInChI=1S/C18H21NO2S/c1-13-8-9-17(21-3)16(10-13)19-18(20)12-22-11-15-7-5-4-6-14(15)2/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyNBMJBKMYEPNWAP-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.18
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide

N-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 880073) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID880073
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSCc1ccccc1C
InChIInChI=1S/C18H21NO2S/c1-13-8-9-17(21-3)16(10-13)19-18(20)12-22-11-15-7-5-4-6-14(15)2/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyNBMJBKMYEPNWAP-UHFFFAOYSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 880073) is N-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is COc1ccc(C)cc1NC(=O)CSCc1ccccc1C.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is NBMJBKMYEPNWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-13-8-9-17(21-3)16(10-13)19-18(20)12-22-11-15-7-5-4-6-14(15)2/h4-10H,11-12H2,1-3H3,(H,19,20).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
N-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 315.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 880073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).