N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide

C15H20N2O4S — CID 131951038

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)CCS(C)(=O)=O)c2c1
InChIInChI=1S/C15H20N2O4S/c1-21-12-3-4-14-13(9-12)11(10-17-14)5-7-16-15(18)6-8-22(2,19)20/h3-4,9-10,17H,5-8H2,1-2H3,(H,16,18)
InChIKeyUKJJNRUIXLELBO-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.27
Rot. Bonds7

About N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide (PubChem CID 131951038) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide
PubChem CID131951038
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)CCS(C)(=O)=O)c2c1
InChIInChI=1S/C15H20N2O4S/c1-21-12-3-4-14-13(9-12)11(10-17-14)5-7-16-15(18)6-8-22(2,19)20/h3-4,9-10,17H,5-8H2,1-2H3,(H,16,18)
InChIKeyUKJJNRUIXLELBO-UHFFFAOYSA-N
XLogP1.27
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
sodium 5-methoxy-3-[2-(3-sulfonatosulfanylpropanoylamino)ethyl]-1H-indole
CID 23704768
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
3-cyclopentyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 18947319
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methylsulfonylpropanamide
CID 110607051
2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 18794242
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 26651
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide;2,3-dihydroxybutanedioic acid
CID 23619193
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide;2,3-dihydroxybutanedioate
CID 23619192
N-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212129
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 142888234

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide (CID 131951038) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide is COc1ccc2[nH]cc(CCNC(=O)CCS(C)(=O)=O)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide?
The InChIKey is UKJJNRUIXLELBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-21-12-3-4-14-13(9-12)11(10-17-14)5-7-16-15(18)6-8-22(2,19)20/h3-4,9-10,17H,5-8H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide has a molecular weight of 324.40 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 131951038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).