N-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)sulfanylacetamide

C19H20N2O3S — CID 4064020

IUPACN-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2cn(C)c3ccccc23)c1
InChIInChI=1S/C19H20N2O3S/c1-21-11-18(14-6-4-5-7-16(14)21)25-12-19(22)20-15-10-13(23-2)8-9-17(15)24-3/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyLGRFIKSPPMAQKN-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.93
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)sulfanylacetamide

N-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)sulfanylacetamide (PubChem CID 4064020) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)sulfanylacetamide
PubChem CID4064020
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2cn(C)c3ccccc23)c1
InChIInChI=1S/C19H20N2O3S/c1-21-11-18(14-6-4-5-7-16(14)21)25-12-19(22)20-15-10-13(23-2)8-9-17(15)24-3/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyLGRFIKSPPMAQKN-UHFFFAOYSA-N
XLogP3.93
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-1-methylindole-3-carboxamide
CID 25343212
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 7335677
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2609676
2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 846639
N-(2,5-dimethoxyphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135543404
2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 43814879
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(2,5-dimethoxyphenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 3236363
3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 43822665
N-[2-[3-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 4581407

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)sulfanylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)sulfanylacetamide (CID 4064020) is N-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)sulfanylacetamide is COc1ccc(OC)c(NC(=O)CSc2cn(C)c3ccccc23)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)sulfanylacetamide?
The InChIKey is LGRFIKSPPMAQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-21-11-18(14-6-4-5-7-16(14)21)25-12-19(22)20-15-10-13(23-2)8-9-17(15)24-3/h4-11H,12H2,1-3H3,(H,20,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)sulfanylacetamide?
N-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)sulfanylacetamide has a molecular weight of 356.45 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)sulfanylacetamide is sourced from PubChem (CID 4064020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).