N-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide

C17H15ClN2OS — CID 5162001

IUPACN-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide
SMILESCn1cc(SCC(=O)Nc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C17H15ClN2OS/c1-20-10-16(14-4-2-3-5-15(14)20)22-11-17(21)19-13-8-6-12(18)7-9-13/h2-10H,11H2,1H3,(H,19,21)
InChIKeyKEBCCPABIXKDOL-UHFFFAOYSA-N
MW330.84 g/mol
LogP4.56
Rot. Bonds4

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

N-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide (PubChem CID 5162001) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide
PubChem CID5162001
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC NameN-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide
SMILESCn1cc(SCC(=O)Nc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C17H15ClN2OS/c1-20-10-16(14-4-2-3-5-15(14)20)22-11-17(21)19-13-8-6-12(18)7-9-13/h2-10H,11H2,1H3,(H,19,21)
InChIKeyKEBCCPABIXKDOL-UHFFFAOYSA-N
XLogP4.56
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide (CID 5162001) is N-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide is Cn1cc(SCC(=O)Nc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of N-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide?
The InChIKey is KEBCCPABIXKDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-20-10-16(14-4-2-3-5-15(14)20)22-11-17(21)19-13-8-6-12(18)7-9-13/h2-10H,11H2,1H3,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide?
N-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide has a molecular weight of 330.84 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfanylacetamide is sourced from PubChem (CID 5162001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).