2-methoxy-5-[(2-methyl-2-phenylsulfanylpropanoyl)amino]benzamide

C18H20N2O3S — CID 100784905

IUPAC2-methoxy-5-[(2-methyl-2-phenylsulfanylpropanoyl)amino]benzamide
SMILESCOc1ccc(NC(=O)C(C)(C)Sc2ccccc2)cc1C(N)=O
InChIInChI=1S/C18H20N2O3S/c1-18(2,24-13-7-5-4-6-8-13)17(22)20-12-9-10-15(23-3)14(11-12)16(19)21/h4-11H,1-3H3,(H2,19,21)(H,20,22)
InChIKeyGBRJZSFRVRKQMQ-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.30
Rot. Bonds6

About 2-methoxy-5-[(2-methyl-2-phenylsulfanylpropanoyl)amino]benzamide

2-methoxy-5-[(2-methyl-2-phenylsulfanylpropanoyl)amino]benzamide (PubChem CID 100784905) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-methoxy-5-[(2-methyl-2-phenylsulfanylpropanoyl)amino]benzamide.

Molecular Properties

Compound Name2-methoxy-5-[(2-methyl-2-phenylsulfanylpropanoyl)amino]benzamide
PubChem CID100784905
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2-methoxy-5-[(2-methyl-2-phenylsulfanylpropanoyl)amino]benzamide
SMILESCOc1ccc(NC(=O)C(C)(C)Sc2ccccc2)cc1C(N)=O
InChIInChI=1S/C18H20N2O3S/c1-18(2,24-13-7-5-4-6-8-13)17(22)20-12-9-10-15(23-3)14(11-12)16(19)21/h4-11H,1-3H3,(H2,19,21)(H,20,22)
InChIKeyGBRJZSFRVRKQMQ-UHFFFAOYSA-N
XLogP3.30
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-2-phenylsulfanylpropanamide
CID 100784920
5-acetamido-N-[2-[3-[[2-[3-[[2-(3-carbamoyl-4-methoxyanilino)-2-oxoethyl]carbamoyl]-4-methoxyanilino]-2-oxoethyl]carbamoyl]-4-methoxyanilino]-2-oxoethyl]-2-methoxybenzamide
CID 131994831
2-fluoro-5-[(2-methoxy-2-phenylpropanoyl)amino]benzamide
CID 56782129
N-(3-bromo-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 103430147
N-(4-acetamidophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969664
N-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110438838
2-amino-N-(3-hydroxy-4-methoxyphenyl)-2-phenylpropanamide
CID 62488059
N-(3,4-dimethoxyphenyl)-N'-(2-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969309
methyl 4-[(3-carbamoyl-4-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 74247912
2-methoxy-4-[[methyl(phenyl)carbamoyl]amino]benzamide
CID 91393388
N-(3-amino-4-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide
CID 119419521
N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
CID 44999686

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(2-methyl-2-phenylsulfanylpropanoyl)amino]benzamide?
The IUPAC name of 2-methoxy-5-[(2-methyl-2-phenylsulfanylpropanoyl)amino]benzamide (CID 100784905) is 2-methoxy-5-[(2-methyl-2-phenylsulfanylpropanoyl)amino]benzamide.
What is the SMILES notation for 2-methoxy-5-[(2-methyl-2-phenylsulfanylpropanoyl)amino]benzamide?
The canonical SMILES for 2-methoxy-5-[(2-methyl-2-phenylsulfanylpropanoyl)amino]benzamide is COc1ccc(NC(=O)C(C)(C)Sc2ccccc2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[(2-methyl-2-phenylsulfanylpropanoyl)amino]benzamide?
The InChIKey is GBRJZSFRVRKQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-18(2,24-13-7-5-4-6-8-13)17(22)20-12-9-10-15(23-3)14(11-12)16(19)21/h4-11H,1-3H3,(H2,19,21)(H,20,22).
What are the key properties of 2-methoxy-5-[(2-methyl-2-phenylsulfanylpropanoyl)amino]benzamide?
2-methoxy-5-[(2-methyl-2-phenylsulfanylpropanoyl)amino]benzamide has a molecular weight of 344.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(2-methyl-2-phenylsulfanylpropanoyl)amino]benzamide is sourced from PubChem (CID 100784905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).