N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide

C18H21NO3S — CID 90597977

IUPACN-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
SMILESCOc1ccccc1C(CNC(=O)c1ccccc1SC)OC
InChIInChI=1S/C18H21NO3S/c1-21-15-10-6-4-8-13(15)16(22-2)12-19-18(20)14-9-5-7-11-17(14)23-3/h4-11,16H,12H2,1-3H3,(H,19,20)
InChIKeyKGPLDEGHLCKTGO-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.53
Rot. Bonds7

About N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide

N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide (PubChem CID 90597977) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
PubChem CID90597977
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
SMILESCOc1ccccc1C(CNC(=O)c1ccccc1SC)OC
InChIInChI=1S/C18H21NO3S/c1-21-15-10-6-4-8-13(15)16(22-2)12-19-18(20)14-9-5-7-11-17(14)23-3/h4-11,16H,12H2,1-3H3,(H,19,20)
InChIKeyKGPLDEGHLCKTGO-UHFFFAOYSA-N
XLogP3.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 90623724
2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598704
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2,4-dimethylbenzamide
CID 90597947
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 91630971
5-bromo-2-chloro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide
CID 90598056
2-chloro-6-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide
CID 90597986
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-ethylsulfanylbenzamide
CID 90623752
2,3,4-trimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598793
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 90598012
1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea
CID 90598262
N-(2-aminopropyl)-2-methylsulfanylbenzamide
CID 79218118
N-(2-methoxyethyl)-2-methylsulfanylbenzamide
CID 5090487

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide (CID 90597977) is N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide is COc1ccccc1C(CNC(=O)c1ccccc1SC)OC.
What is the InChIKey of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide?
The InChIKey is KGPLDEGHLCKTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-21-15-10-6-4-8-13(15)16(22-2)12-19-18(20)14-9-5-7-11-17(14)23-3/h4-11,16H,12H2,1-3H3,(H,19,20).
What are the key properties of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide?
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide has a molecular weight of 331.44 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 90597977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).