2-formamido-N-[2-(1H-indol-3-yl)ethyl]-3-sulfanylpropanamide

C14H17N3O2S — CID 163021795

IUPAC2-formamido-N-[2-(1H-indol-3-yl)ethyl]-3-sulfanylpropanamide
SMILESO=CNC(CS)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C14H17N3O2S/c18-9-17-13(8-20)14(19)15-6-5-10-7-16-12-4-2-1-3-11(10)12/h1-4,7,9,13,16,20H,5-6,8H2,(H,15,19)(H,17,18)
InChIKeyVRFYOEWEZKLUAR-UHFFFAOYSA-N
MW291.38 g/mol
LogP0.87
Rot. Bonds7

About 2-formamido-N-[2-(1H-indol-3-yl)ethyl]-3-sulfanylpropanamide

2-formamido-N-[2-(1H-indol-3-yl)ethyl]-3-sulfanylpropanamide (PubChem CID 163021795) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-formamido-N-[2-(1H-indol-3-yl)ethyl]-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-formamido-N-[2-(1H-indol-3-yl)ethyl]-3-sulfanylpropanamide
PubChem CID163021795
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-formamido-N-[2-(1H-indol-3-yl)ethyl]-3-sulfanylpropanamide
SMILESO=CNC(CS)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C14H17N3O2S/c18-9-17-13(8-20)14(19)15-6-5-10-7-16-12-4-2-1-3-11(10)12/h1-4,7,9,13,16,20H,5-6,8H2,(H,15,19)(H,17,18)
InChIKeyVRFYOEWEZKLUAR-UHFFFAOYSA-N
XLogP0.87
TPSA73.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]formamide
CID 123425108
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide
CID 20668757
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 103830896
N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4879415
1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108511537

Frequently Asked Questions

What is the IUPAC name of 2-formamido-N-[2-(1H-indol-3-yl)ethyl]-3-sulfanylpropanamide?
The IUPAC name of 2-formamido-N-[2-(1H-indol-3-yl)ethyl]-3-sulfanylpropanamide (CID 163021795) is 2-formamido-N-[2-(1H-indol-3-yl)ethyl]-3-sulfanylpropanamide.
What is the SMILES notation for 2-formamido-N-[2-(1H-indol-3-yl)ethyl]-3-sulfanylpropanamide?
The canonical SMILES for 2-formamido-N-[2-(1H-indol-3-yl)ethyl]-3-sulfanylpropanamide is O=CNC(CS)C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-formamido-N-[2-(1H-indol-3-yl)ethyl]-3-sulfanylpropanamide?
The InChIKey is VRFYOEWEZKLUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-9-17-13(8-20)14(19)15-6-5-10-7-16-12-4-2-1-3-11(10)12/h1-4,7,9,13,16,20H,5-6,8H2,(H,15,19)(H,17,18).
What are the key properties of 2-formamido-N-[2-(1H-indol-3-yl)ethyl]-3-sulfanylpropanamide?
2-formamido-N-[2-(1H-indol-3-yl)ethyl]-3-sulfanylpropanamide has a molecular weight of 291.38 g/mol, XLogP of 0.87, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-N-[2-(1H-indol-3-yl)ethyl]-3-sulfanylpropanamide is sourced from PubChem (CID 163021795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).