N-[(2-ethoxyphenyl)methyl]-2-ethylsulfanylbenzamide

C18H21NO2S — CID 53285872

IUPACN-[(2-ethoxyphenyl)methyl]-2-ethylsulfanylbenzamide
SMILESCCOc1ccccc1CNC(=O)c1ccccc1SCC
InChIInChI=1S/C18H21NO2S/c1-3-21-16-11-7-5-9-14(16)13-19-18(20)15-10-6-8-12-17(15)22-4-2/h5-12H,3-4,13H2,1-2H3,(H,19,20)
InChIKeyTWOWLHFWNKKVOT-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.13
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]-2-ethylsulfanylbenzamide

N-[(2-ethoxyphenyl)methyl]-2-ethylsulfanylbenzamide (PubChem CID 53285872) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2-ethylsulfanylbenzamide
PubChem CID53285872
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2-ethylsulfanylbenzamide
SMILESCCOc1ccccc1CNC(=O)c1ccccc1SCC
InChIInChI=1S/C18H21NO2S/c1-3-21-16-11-7-5-9-14(16)13-19-18(20)15-10-6-8-12-17(15)22-4-2/h5-12H,3-4,13H2,1-2H3,(H,19,20)
InChIKeyTWOWLHFWNKKVOT-UHFFFAOYSA-N
XLogP4.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2-ethoxyphenyl)methyl]benzamide
CID 134085720
2-amino-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334706
N-[(2-methoxyphenyl)methyl]-2-(2-oxopropylsulfanyl)benzamide
CID 9404793
4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide
CID 94472484
N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide
CID 71822129
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
2-chloro-N-[2-[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111881511
2-[2-[[2-(2-methoxyethoxy)phenyl]methylcarbamoyl]phenyl]sulfanylpropanoic acid
CID 119182076
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 34555167
N-[(2-ethoxyphenyl)methyl]-3-(methanesulfonamido)-2-methylbenzamide
CID 28570644
1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
CID 47375969
N-[(2-ethoxyphenyl)methyl]furan-2-carboxamide
CID 28635209

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-ethylsulfanylbenzamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-ethylsulfanylbenzamide (CID 53285872) is N-[(2-ethoxyphenyl)methyl]-2-ethylsulfanylbenzamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2-ethylsulfanylbenzamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2-ethylsulfanylbenzamide is CCOc1ccccc1CNC(=O)c1ccccc1SCC.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2-ethylsulfanylbenzamide?
The InChIKey is TWOWLHFWNKKVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-3-21-16-11-7-5-9-14(16)13-19-18(20)15-10-6-8-12-17(15)22-4-2/h5-12H,3-4,13H2,1-2H3,(H,19,20).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2-ethylsulfanylbenzamide?
N-[(2-ethoxyphenyl)methyl]-2-ethylsulfanylbenzamide has a molecular weight of 315.44 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2-ethylsulfanylbenzamide is sourced from PubChem (CID 53285872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).