3-indol-1-yl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide

C21H23N3O2S — CID 38768085

IUPAC3-indol-1-yl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)CCn1ccc2ccccc21
InChIInChI=1S/C21H23N3O2S/c1-23(15-20(25)22-17-8-4-6-10-19(17)27-2)21(26)12-14-24-13-11-16-7-3-5-9-18(16)24/h3-11,13H,12,14-15H2,1-2H3,(H,22,25)
InChIKeyRLDFOJUPGDBKDR-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.85
Rot. Bonds7

About 3-indol-1-yl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide

3-indol-1-yl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide (PubChem CID 38768085) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 3-indol-1-yl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-indol-1-yl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
PubChem CID38768085
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name3-indol-1-yl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)CCn1ccc2ccccc21
InChIInChI=1S/C21H23N3O2S/c1-23(15-20(25)22-17-8-4-6-10-19(17)27-2)21(26)12-14-24-13-11-16-7-3-5-9-18(16)24/h3-11,13H,12,14-15H2,1-2H3,(H,22,25)
InChIKeyRLDFOJUPGDBKDR-UHFFFAOYSA-N
XLogP3.85
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-indol-1-yl-N-methylpropanamide
CID 26286651
2-(6-chloroindol-1-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
CID 55997834
N-methyl-3-(4-methylphenyl)-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38768176
2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 7780066
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-naphthalen-1-yloxybutanamide
CID 55718491
N-[3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 9417092
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-phenoxybutanamide
CID 38764417
N-methyl-3-(4-methylphenyl)sulfonyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 9416979
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 55376995
(3S)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-phenylbutanamide
CID 38762946
2-[[2-[benzyl(methyl)amino]acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 51223505
3-(2-ethoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38766166

Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide?
The IUPAC name of 3-indol-1-yl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide (CID 38768085) is 3-indol-1-yl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-indol-1-yl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-indol-1-yl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide is CSc1ccccc1NC(=O)CN(C)C(=O)CCn1ccc2ccccc21.
What is the InChIKey of 3-indol-1-yl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide?
The InChIKey is RLDFOJUPGDBKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-23(15-20(25)22-17-8-4-6-10-19(17)27-2)21(26)12-14-24-13-11-16-7-3-5-9-18(16)24/h3-11,13H,12,14-15H2,1-2H3,(H,22,25).
What are the key properties of 3-indol-1-yl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide?
3-indol-1-yl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide has a molecular weight of 381.50 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 38768085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).