3-(5-methyl-1H-indol-3-yl)-N-(4-methylsulfanylbutyl)propanamide

C17H24N2OS — CID 71925432

IUPAC3-(5-methyl-1H-indol-3-yl)-N-(4-methylsulfanylbutyl)propanamide
SMILESCSCCCCNC(=O)CCc1c[nH]c2ccc(C)cc12
InChIInChI=1S/C17H24N2OS/c1-13-5-7-16-15(11-13)14(12-19-16)6-8-17(20)18-9-3-4-10-21-2/h5,7,11-12,19H,3-4,6,8-10H2,1-2H3,(H,18,20)
InChIKeyVEKFUTODBRHTGW-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.67
Rot. Bonds8

About 3-(5-methyl-1H-indol-3-yl)-N-(4-methylsulfanylbutyl)propanamide

3-(5-methyl-1H-indol-3-yl)-N-(4-methylsulfanylbutyl)propanamide (PubChem CID 71925432) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 3-(5-methyl-1H-indol-3-yl)-N-(4-methylsulfanylbutyl)propanamide.

Molecular Properties

Compound Name3-(5-methyl-1H-indol-3-yl)-N-(4-methylsulfanylbutyl)propanamide
PubChem CID71925432
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name3-(5-methyl-1H-indol-3-yl)-N-(4-methylsulfanylbutyl)propanamide
SMILESCSCCCCNC(=O)CCc1c[nH]c2ccc(C)cc12
InChIInChI=1S/C17H24N2OS/c1-13-5-7-16-15(11-13)14(12-19-16)6-8-17(20)18-9-3-4-10-21-2/h5,7,11-12,19H,3-4,6,8-10H2,1-2H3,(H,18,20)
InChIKeyVEKFUTODBRHTGW-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
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

N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylsulfanylpropanamide
CID 17272014
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
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 4974066
N-(4-hydroxycyclohexyl)-3-(5-methyl-1H-indol-3-yl)propanamide
CID 111536296
N-[(3-hydroxythiolan-3-yl)methyl]-3-(5-methyl-1H-indol-3-yl)propanamide
CID 111596973
methyl 2-methyl-5-[[3-(5-methyl-1H-indol-3-yl)propanoylamino]methyl]furan-3-carboxylate
CID 119042143
3-(5-methyl-1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide
CID 95930494
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
2-[[2-(5-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
CID 110835976

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-indol-3-yl)-N-(4-methylsulfanylbutyl)propanamide?
The IUPAC name of 3-(5-methyl-1H-indol-3-yl)-N-(4-methylsulfanylbutyl)propanamide (CID 71925432) is 3-(5-methyl-1H-indol-3-yl)-N-(4-methylsulfanylbutyl)propanamide.
What is the SMILES notation for 3-(5-methyl-1H-indol-3-yl)-N-(4-methylsulfanylbutyl)propanamide?
The canonical SMILES for 3-(5-methyl-1H-indol-3-yl)-N-(4-methylsulfanylbutyl)propanamide is CSCCCCNC(=O)CCc1c[nH]c2ccc(C)cc12.
What is the InChIKey of 3-(5-methyl-1H-indol-3-yl)-N-(4-methylsulfanylbutyl)propanamide?
The InChIKey is VEKFUTODBRHTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-13-5-7-16-15(11-13)14(12-19-16)6-8-17(20)18-9-3-4-10-21-2/h5,7,11-12,19H,3-4,6,8-10H2,1-2H3,(H,18,20).
What are the key properties of 3-(5-methyl-1H-indol-3-yl)-N-(4-methylsulfanylbutyl)propanamide?
3-(5-methyl-1H-indol-3-yl)-N-(4-methylsulfanylbutyl)propanamide has a molecular weight of 304.46 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-indol-3-yl)-N-(4-methylsulfanylbutyl)propanamide is sourced from PubChem (CID 71925432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).