2-[(2-benzylsulfanylacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide

C21H26N2O3S — CID 8620896

IUPAC2-[(2-benzylsulfanylacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)CSCc1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-3-13-23(21(25)16-27-15-17-9-5-4-6-10-17)14-20(24)22-18-11-7-8-12-19(18)26-2/h4-12H,3,13-16H2,1-2H3,(H,22,24)
InChIKeyVFWTTZCQWSAMKT-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.81
Rot. Bonds10

About 2-[(2-benzylsulfanylacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide

2-[(2-benzylsulfanylacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide (PubChem CID 8620896) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-[(2-benzylsulfanylacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-benzylsulfanylacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide
PubChem CID8620896
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2-[(2-benzylsulfanylacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)CSCc1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-3-13-23(21(25)16-27-15-17-9-5-4-6-10-17)14-20(24)22-18-11-7-8-12-19(18)26-2/h4-12H,3,13-16H2,1-2H3,(H,22,24)
InChIKeyVFWTTZCQWSAMKT-UHFFFAOYSA-N
XLogP3.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide
CID 119267704
4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide
CID 119267716
2-[[2-(2,4-dimethylphenyl)sulfanylacetyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 8786909
[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 8580905
N-(2-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]-propylamino]acetamide
CID 9200820
2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 9199505
2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 9006277
3-benzylsulfanyl-N-(2-methoxyphenyl)propanamide
CID 8797275
N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168900
2-(3,6-dihydro-2H-pyridin-1-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide
CID 166204006
N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide
CID 25162663
2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpentanamide;hydrochloride
CID 119267711

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzylsulfanylacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(2-benzylsulfanylacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide (CID 8620896) is 2-[(2-benzylsulfanylacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2-benzylsulfanylacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(2-benzylsulfanylacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide is CCCN(CC(=O)Nc1ccccc1OC)C(=O)CSCc1ccccc1.
What is the InChIKey of 2-[(2-benzylsulfanylacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is VFWTTZCQWSAMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-3-13-23(21(25)16-27-15-17-9-5-4-6-10-17)14-20(24)22-18-11-7-8-12-19(18)26-2/h4-12H,3,13-16H2,1-2H3,(H,22,24).
What are the key properties of 2-[(2-benzylsulfanylacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide?
2-[(2-benzylsulfanylacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 386.52 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzylsulfanylacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 8620896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).