2-(6-chloroindol-1-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide

C20H20ClN3O2S — CID 55997834

IUPAC2-(6-chloroindol-1-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)Cn1ccc2ccc(Cl)cc21
InChIInChI=1S/C20H20ClN3O2S/c1-23(12-19(25)22-16-5-3-4-6-18(16)27-2)20(26)13-24-10-9-14-7-8-15(21)11-17(14)24/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyFQEPCIVJTYQNOK-UHFFFAOYSA-N
MW401.92 g/mol
LogP4.11
Rot. Bonds6

About 2-(6-chloroindol-1-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide

2-(6-chloroindol-1-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide (PubChem CID 55997834) has the molecular formula C20H20ClN3O2S and a molecular weight of 401.92 g/mol. Its IUPAC name is 2-(6-chloroindol-1-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(6-chloroindol-1-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
PubChem CID55997834
Molecular FormulaC20H20ClN3O2S
Molecular Weight401.92 g/mol
Exact Mass401.10
IUPAC Name2-(6-chloroindol-1-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)Cn1ccc2ccc(Cl)cc21
InChIInChI=1S/C20H20ClN3O2S/c1-23(12-19(25)22-16-5-3-4-6-18(16)27-2)20(26)13-24-10-9-14-7-8-15(21)11-17(14)24/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyFQEPCIVJTYQNOK-UHFFFAOYSA-N
XLogP4.11
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-indol-1-yl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38768085
4-chloro-2-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38768863
3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417026
2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 7780066
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 4806218
2-chloro-4-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38765269
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
CID 9417067
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 2698816
2,4-difluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 2568683
2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide
CID 47365850
N-[4-[[2-(6-chloroindol-1-yl)acetyl]amino]-2,5-diethoxyphenyl]benzamide
CID 60567548
2-[[2-[benzyl(methyl)amino]acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 51223505

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroindol-1-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(6-chloroindol-1-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide (CID 55997834) is 2-(6-chloroindol-1-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(6-chloroindol-1-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(6-chloroindol-1-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide is CSc1ccccc1NC(=O)CN(C)C(=O)Cn1ccc2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloroindol-1-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide?
The InChIKey is FQEPCIVJTYQNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2S/c1-23(12-19(25)22-16-5-3-4-6-18(16)27-2)20(26)13-24-10-9-14-7-8-15(21)11-17(14)24/h3-11H,12-13H2,1-2H3,(H,22,25).
What are the key properties of 2-(6-chloroindol-1-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide?
2-(6-chloroindol-1-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide has a molecular weight of 401.92 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroindol-1-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 55997834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).