N-(3,4-dichlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide

C17H14Cl2N2OS — CID 4638493

IUPACN-(3,4-dichlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide
SMILESCn1cc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C17H14Cl2N2OS/c1-21-9-16(12-4-2-3-5-15(12)21)23-10-17(22)20-11-6-7-13(18)14(19)8-11/h2-9H,10H2,1H3,(H,20,22)
InChIKeyAGSITRWDUFULMP-UHFFFAOYSA-N
MW365.29 g/mol
LogP5.22
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide

N-(3,4-dichlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide (PubChem CID 4638493) has the molecular formula C17H14Cl2N2OS and a molecular weight of 365.29 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide
PubChem CID4638493
Molecular FormulaC17H14Cl2N2OS
Molecular Weight365.29 g/mol
Exact Mass364.02
IUPAC NameN-(3,4-dichlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide
SMILESCn1cc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C17H14Cl2N2OS/c1-21-9-16(12-4-2-3-5-15(12)21)23-10-17(22)20-11-6-7-13(18)14(19)8-11/h2-9H,10H2,1H3,(H,20,22)
InChIKeyAGSITRWDUFULMP-UHFFFAOYSA-N
XLogP5.22
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.29
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide (CID 4638493) is N-(3,4-dichlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide is Cn1cc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide?
The InChIKey is AGSITRWDUFULMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2OS/c1-21-9-16(12-4-2-3-5-15(12)21)23-10-17(22)20-11-6-7-13(18)14(19)8-11/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of N-(3,4-dichlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide?
N-(3,4-dichlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide has a molecular weight of 365.29 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide is sourced from PubChem (CID 4638493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).