3-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)propanamide

C23H22N2OS — CID 5204748

IUPAC3-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCc1cn(Cc2ccccc2)c2ccccc12)NCc1cccs1
InChIInChI=1S/C23H22N2OS/c26-23(24-15-20-9-6-14-27-20)13-12-19-17-25(16-18-7-2-1-3-8-18)22-11-5-4-10-21(19)22/h1-11,14,17H,12-13,15-16H2,(H,24,26)
InChIKeyPACAYZWGQFOFAW-UHFFFAOYSA-N
MW374.51 g/mol
LogP5.00
Rot. Bonds7

About 3-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)propanamide

3-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 5204748) has the molecular formula C23H22N2OS and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID5204748
Molecular FormulaC23H22N2OS
Molecular Weight374.51 g/mol
Exact Mass374.15
IUPAC Name3-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCc1cn(Cc2ccccc2)c2ccccc12)NCc1cccs1
InChIInChI=1S/C23H22N2OS/c26-23(24-15-20-9-6-14-27-20)13-12-19-17-25(16-18-7-2-1-3-8-18)22-11-5-4-10-21(19)22/h1-11,14,17H,12-13,15-16H2,(H,24,26)
InChIKeyPACAYZWGQFOFAW-UHFFFAOYSA-N
XLogP5.00
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.51
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide
CID 588963
(2S)-2-[(2S)-5-carbamimidamido-2-{[(2S)-1-[(2S)-5-carbamimidamido-2-[(2S)-3-(4-fluorophenyl)-2-[(2S)-3-(1H-indol-3-yl)-2-[2-(thiophen-2-yl)acetamido]propanamido]propanamido]pentanoyl]pyrrolidin-2-yl]formamido}pentanamido]butanediamide
CID 117072558
3-(1-benzothiophen-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327663
3-(1-methyl-1H-indol-3-yl)-4-(thiophen-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327668
3-(1-methyl-1H-indol-3-yl)-4-[1-methyl-5-(methylsulfanyl)-1H-indol-3-yl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327676
3-(1-methyl-1H-indol-3-yl)-4-[1-methyl-2-(methylsulfanyl)-1H-indol-3-yl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327699
Bisindolylmaleimide deriv. 58
CID 5327700
3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329361
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
Maleimide derivative, 5
CID 10477747
5-(2-methyl-1h-indol-1-yl)-N-propylthiophene-2-carboxamide
CID 44481106
N-(pyridin-2-ylmethyl)-2-(2-thien-2-yl-1H-indol-1-yl)acetamide
CID 46275360

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 5204748) is 3-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)propanamide is O=C(CCc1cn(Cc2ccccc2)c2ccccc12)NCc1cccs1.
What is the InChIKey of 3-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is PACAYZWGQFOFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2OS/c26-23(24-15-20-9-6-14-27-20)13-12-19-17-25(16-18-7-2-1-3-8-18)22-11-5-4-10-21(19)22/h1-11,14,17H,12-13,15-16H2,(H,24,26).
What are the key properties of 3-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
3-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 374.51 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 5204748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).