4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(4-methylsulfanylphenyl)benzamide

C18H20N2O5S — CID 9247227

IUPAC4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(4-methylsulfanylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(SC)cc2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C18H20N2O5S/c1-23-14-8-11(9-15(24-2)17(14)25-10-16(19)21)18(22)20-12-4-6-13(26-3)7-5-12/h4-9H,10H2,1-3H3,(H2,19,21)(H,20,22)
InChIKeyUTJVEWLWZVSOBR-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.54
Rot. Bonds8

About 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(4-methylsulfanylphenyl)benzamide

4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(4-methylsulfanylphenyl)benzamide (PubChem CID 9247227) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(4-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(4-methylsulfanylphenyl)benzamide
PubChem CID9247227
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(4-methylsulfanylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(SC)cc2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C18H20N2O5S/c1-23-14-8-11(9-15(24-2)17(14)25-10-16(19)21)18(22)20-12-4-6-13(26-3)7-5-12/h4-9H,10H2,1-3H3,(H2,19,21)(H,20,22)
InChIKeyUTJVEWLWZVSOBR-UHFFFAOYSA-N
XLogP2.54
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-(2-methoxyphenoxy)phenyl]benzamide
CID 27901919
4-(2-amino-2-oxoethoxy)-N-[4-(3-amino-3-oxopropoxy)phenyl]-3-chloro-5-methoxybenzamide
CID 55840241
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 55893304
4-(2-amino-2-oxoethoxy)-N-(2,4-dimethylphenyl)-3,5-dimethoxybenzamide
CID 9243234
4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 17470265
4-(2-amino-2-oxoethoxy)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,5-dimethoxybenzamide
CID 55891532
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55492038
4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methoxybenzamide
CID 24612595
[2-(4-methoxyanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate
CID 27110421
butyl 4-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]benzoate
CID 24590767
N-[4-(difluoromethylsulfanyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4024378
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methylsulfonylphenyl)benzamide
CID 55535206

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(4-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(4-methylsulfanylphenyl)benzamide (CID 9247227) is 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(4-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(4-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(4-methylsulfanylphenyl)benzamide is COc1cc(C(=O)Nc2ccc(SC)cc2)cc(OC)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(4-methylsulfanylphenyl)benzamide?
The InChIKey is UTJVEWLWZVSOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-23-14-8-11(9-15(24-2)17(14)25-10-16(19)21)18(22)20-12-4-6-13(26-3)7-5-12/h4-9H,10H2,1-3H3,(H2,19,21)(H,20,22).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(4-methylsulfanylphenyl)benzamide?
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(4-methylsulfanylphenyl)benzamide has a molecular weight of 376.43 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(4-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 9247227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).