N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylsulfanylpropanamide

C20H22N2OS — CID 17272014

IUPACN-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylsulfanylpropanamide
SMILESCc1ccc2[nH]cc(CCNC(=O)CCSc3ccccc3)c2c1
InChIInChI=1S/C20H22N2OS/c1-15-7-8-19-18(13-15)16(14-22-19)9-11-21-20(23)10-12-24-17-5-3-2-4-6-17/h2-8,13-14,22H,9-12H2,1H3,(H,21,23)
InChIKeyIMKYERRKMMZQDR-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.32
Rot. Bonds7

About N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylsulfanylpropanamide

N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylsulfanylpropanamide (PubChem CID 17272014) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylsulfanylpropanamide
PubChem CID17272014
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC NameN-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylsulfanylpropanamide
SMILESCc1ccc2[nH]cc(CCNC(=O)CCSc3ccccc3)c2c1
InChIInChI=1S/C20H22N2OS/c1-15-7-8-19-18(13-15)16(14-22-19)9-11-21-20(23)10-12-24-17-5-3-2-4-6-17/h2-8,13-14,22H,9-12H2,1H3,(H,21,23)
InChIKeyIMKYERRKMMZQDR-UHFFFAOYSA-N
XLogP4.32
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 30284044
2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17339304
2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899
3-(5-methyl-1H-indol-3-yl)-N-(4-methylsulfanylbutyl)propanamide
CID 71925432
(E)-2-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide
CID 17271955
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
(Z)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2,3-diphenylprop-2-enamide
CID 17271930
3-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027411
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 4974066
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7605261
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[2-(2-fluorophenyl)ethyl]-3-phenylsulfanylpropanamide
CID 78792083

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylsulfanylpropanamide (CID 17272014) is N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylsulfanylpropanamide is Cc1ccc2[nH]cc(CCNC(=O)CCSc3ccccc3)c2c1.
What is the InChIKey of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylsulfanylpropanamide?
The InChIKey is IMKYERRKMMZQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-15-7-8-19-18(13-15)16(14-22-19)9-11-21-20(23)10-12-24-17-5-3-2-4-6-17/h2-8,13-14,22H,9-12H2,1H3,(H,21,23).
What are the key properties of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylsulfanylpropanamide?
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylsulfanylpropanamide has a molecular weight of 338.48 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 17272014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).