2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide

C19H29N3O3S — CID 113067812

IUPAC2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCN(CCc1c[nH]c2ccccc12)S(C)(=O)=O
InChIInChI=1S/C19H29N3O3S/c1-4-15(5-2)19(23)20-11-13-22(26(3,24)25)12-10-16-14-21-18-9-7-6-8-17(16)18/h6-9,14-15,21H,4-5,10-13H2,1-3H3,(H,20,23)
InChIKeyYYRNLZLWRQQZDV-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.52
Rot. Bonds10

About 2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide

2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide (PubChem CID 113067812) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide
PubChem CID113067812
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCN(CCc1c[nH]c2ccccc12)S(C)(=O)=O
InChIInChI=1S/C19H29N3O3S/c1-4-15(5-2)19(23)20-11-13-22(26(3,24)25)12-10-16-14-21-18-9-7-6-8-17(16)18/h6-9,14-15,21H,4-5,10-13H2,1-3H3,(H,20,23)
InChIKeyYYRNLZLWRQQZDV-UHFFFAOYSA-N
XLogP2.52
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113152453
N-tert-butyl-3-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]propanamide
CID 113140591
N-[3-(1H-indol-3-yl)propyl]-N-[4-(methylamino)butyl]methanesulfonamide
CID 147377568
N-[2-(1H-indol-3-yl)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153236
2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113148681
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042
1-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-propylurea
CID 110749017
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 82087538
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113052669
2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide
CID 113068448
N-cyclohexyl-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide
CID 113152451
(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide
CID 119958060

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide (CID 113067812) is 2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide is CCC(CC)C(=O)NCCN(CCc1c[nH]c2ccccc12)S(C)(=O)=O.
What is the InChIKey of 2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide?
The InChIKey is YYRNLZLWRQQZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-4-15(5-2)19(23)20-11-13-22(26(3,24)25)12-10-16-14-21-18-9-7-6-8-17(16)18/h6-9,14-15,21H,4-5,10-13H2,1-3H3,(H,20,23).
What are the key properties of 2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide?
2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide has a molecular weight of 379.53 g/mol, XLogP of 2.52, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide is sourced from PubChem (CID 113067812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).