N-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide

C17H24N2OS — CID 115662191

IUPACN-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
SMILESCCSCCC(C)NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C17H24N2OS/c1-3-21-11-10-13(2)19-17(20)9-8-14-12-18-16-7-5-4-6-15(14)16/h4-7,12-13,18H,3,8-11H2,1-2H3,(H,19,20)
InChIKeyWZPKTYDXTXNPTQ-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.75
Rot. Bonds8

About N-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide

N-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide (PubChem CID 115662191) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
PubChem CID115662191
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
SMILESCCSCCC(C)NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C17H24N2OS/c1-3-21-11-10-13(2)19-17(20)9-8-14-12-18-16-7-5-4-6-15(14)16/h4-7,12-13,18H,3,8-11H2,1-2H3,(H,19,20)
InChIKeyWZPKTYDXTXNPTQ-UHFFFAOYSA-N
XLogP3.75
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide
CID 97086843
(2R)-N-[(2R)-butan-2-yl]-2-[3-(1H-indol-3-yl)propanoylamino]propanamide
CID 52781483
3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide
CID 18074487
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(1H-indol-3-yl)propanoate
CID 40651024
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169307
2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide
CID 47315730
(2S,3S)-2-[3-(1H-indol-3-yl)propanoylamino]-3-methylpentanoic acid
CID 7094652
(2S)-2-[3-(1H-indol-3-yl)propanoylamino]-N-propylpropanamide
CID 27860985
N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 142880124
N-(1-aminohexan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 80697180

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide (CID 115662191) is N-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide is CCSCCC(C)NC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is WZPKTYDXTXNPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-3-21-11-10-13(2)19-17(20)9-8-14-12-18-16-7-5-4-6-15(14)16/h4-7,12-13,18H,3,8-11H2,1-2H3,(H,19,20).
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide?
N-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 304.46 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 115662191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).