2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide

C19H22N2O3S — CID 9438577

IUPAC2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)CSCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-21(19(23)14-25-13-15-6-4-3-5-7-15)12-18(22)20-16-8-10-17(24-2)11-9-16/h3-11H,12-14H2,1-2H3,(H,20,22)
InChIKeyCYRIRSSMGRAYEJ-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.03
Rot. Bonds8

About 2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide

2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 9438577) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID9438577
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)CSCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-21(19(23)14-25-13-15-6-4-3-5-7-15)12-18(22)20-16-8-10-17(24-2)11-9-16/h3-11H,12-14H2,1-2H3,(H,20,22)
InChIKeyCYRIRSSMGRAYEJ-UHFFFAOYSA-N
XLogP3.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
CID 9438680
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 9438819
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 7936687
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(3-methoxyphenyl)-N-methylpropanamide
CID 31973261
methyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60565339
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 9438619
2-[(2-benzylsulfanylacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24981104
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1-pyridinyl)acetamide
CID 8620936
2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9438320
N-(4-methoxyphenyl)-2-[methyl-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]acetamide
CID 8002588
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide
CID 27793538

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide (CID 9438577) is 2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C)C(=O)CSCc2ccccc2)cc1.
What is the InChIKey of 2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is CYRIRSSMGRAYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-21(19(23)14-25-13-15-6-4-3-5-7-15)12-18(22)20-16-8-10-17(24-2)11-9-16/h3-11H,12-14H2,1-2H3,(H,20,22).
What are the key properties of 2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide?
2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 358.46 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 9438577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).