3-(1H-indol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide

C17H18N2OS — CID 41291005

IUPAC3-(1H-indol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
SMILESC[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1cccs1
InChIInChI=1S/C17H18N2OS/c1-12(16-7-4-10-21-16)19-17(20)9-8-13-11-18-15-6-3-2-5-14(13)15/h2-7,10-12,18H,8-9H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyHOBREZLSWILXBM-GFCCVEGCSA-N
MW298.41 g/mol
LogP4.04
Rot. Bonds5

About 3-(1H-indol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide

3-(1H-indol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide (PubChem CID 41291005) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
PubChem CID41291005
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name3-(1H-indol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
SMILESC[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1cccs1
InChIInChI=1S/C17H18N2OS/c1-12(16-7-4-10-21-16)19-17(20)9-8-13-11-18-15-6-3-2-5-14(13)15/h2-7,10-12,18H,8-9H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyHOBREZLSWILXBM-GFCCVEGCSA-N
XLogP4.04
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(1H-indol-3-yl)propanamide
CID 17494432
N-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 41273168
N-[1-[4-(dimethylamino)phenyl]ethyl]-3-(1H-indol-3-yl)propanamide
CID 70160592
2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide
CID 47315730
3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4794791
3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide
CID 18074487
4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 25470256
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
(2S)-2-[3-(1H-indol-3-yl)propanoylamino]-N-propylpropanamide
CID 27860985

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide (CID 41291005) is 3-(1H-indol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide is C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1cccs1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide?
The InChIKey is HOBREZLSWILXBM-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-12(16-7-4-10-21-16)19-17(20)9-8-13-11-18-15-6-3-2-5-14(13)15/h2-7,10-12,18H,8-9H2,1H3,(H,19,20)/t12-/m1/s1.
What are the key properties of 3-(1H-indol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide?
3-(1H-indol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide has a molecular weight of 298.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide is sourced from PubChem (CID 41291005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).