3-(1-benzylindol-3-yl)-N-cyclopropyl-3-thiophen-2-ylpropanamide

C25H24N2OS — CID 42774940

IUPAC3-(1-benzylindol-3-yl)-N-cyclopropyl-3-thiophen-2-ylpropanamide
SMILESO=C(CC(c1cccs1)c1cn(Cc2ccccc2)c2ccccc12)NC1CC1
InChIInChI=1S/C25H24N2OS/c28-25(26-19-12-13-19)15-21(24-11-6-14-29-24)22-17-27(16-18-7-2-1-3-8-18)23-10-5-4-9-20(22)23/h1-11,14,17,19,21H,12-13,15-16H2,(H,26,28)
InChIKeyAIGBEFFWLGSJBQ-UHFFFAOYSA-N
MW400.55 g/mol
LogP5.55
Rot. Bonds7

About 3-(1-benzylindol-3-yl)-N-cyclopropyl-3-thiophen-2-ylpropanamide

3-(1-benzylindol-3-yl)-N-cyclopropyl-3-thiophen-2-ylpropanamide (PubChem CID 42774940) has the molecular formula C25H24N2OS and a molecular weight of 400.55 g/mol. Its IUPAC name is 3-(1-benzylindol-3-yl)-N-cyclopropyl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-(1-benzylindol-3-yl)-N-cyclopropyl-3-thiophen-2-ylpropanamide
PubChem CID42774940
Molecular FormulaC25H24N2OS
Molecular Weight400.55 g/mol
Exact Mass400.16
IUPAC Name3-(1-benzylindol-3-yl)-N-cyclopropyl-3-thiophen-2-ylpropanamide
SMILESO=C(CC(c1cccs1)c1cn(Cc2ccccc2)c2ccccc12)NC1CC1
InChIInChI=1S/C25H24N2OS/c28-25(26-19-12-13-19)15-21(24-11-6-14-29-24)22-17-27(16-18-7-2-1-3-8-18)23-10-5-4-9-20(22)23/h1-11,14,17,19,21H,12-13,15-16H2,(H,26,28)
InChIKeyAIGBEFFWLGSJBQ-UHFFFAOYSA-N
XLogP5.55
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.55
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzylindol-3-yl)-N-(2-fluorophenyl)-3-thiophen-2-ylpropanamide
CID 4142450
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)-3-thiophen-2-ylpropanamide
CID 4259550
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-thiophen-2-ylpropanamide
CID 3620283
3-(1-benzylindol-3-yl)-1-(4-ethylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 42774929
(3R)-3-(1-benzyl-5-nitroindol-3-yl)-N-cyclohexyl-3-phenylpropanamide
CID 93120122
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide
CID 41108991
N-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide
CID 42774766
3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide
CID 4616426
1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
N-cyclopropyl-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 2974463
N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide
CID 42774807
N-benzyl-3-(1-benzylindol-3-yl)-3-(2-methoxyphenyl)propanamide
CID 83285550

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylindol-3-yl)-N-cyclopropyl-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-(1-benzylindol-3-yl)-N-cyclopropyl-3-thiophen-2-ylpropanamide (CID 42774940) is 3-(1-benzylindol-3-yl)-N-cyclopropyl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-(1-benzylindol-3-yl)-N-cyclopropyl-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-(1-benzylindol-3-yl)-N-cyclopropyl-3-thiophen-2-ylpropanamide is O=C(CC(c1cccs1)c1cn(Cc2ccccc2)c2ccccc12)NC1CC1.
What is the InChIKey of 3-(1-benzylindol-3-yl)-N-cyclopropyl-3-thiophen-2-ylpropanamide?
The InChIKey is AIGBEFFWLGSJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2OS/c28-25(26-19-12-13-19)15-21(24-11-6-14-29-24)22-17-27(16-18-7-2-1-3-8-18)23-10-5-4-9-20(22)23/h1-11,14,17,19,21H,12-13,15-16H2,(H,26,28).
What are the key properties of 3-(1-benzylindol-3-yl)-N-cyclopropyl-3-thiophen-2-ylpropanamide?
3-(1-benzylindol-3-yl)-N-cyclopropyl-3-thiophen-2-ylpropanamide has a molecular weight of 400.55 g/mol, XLogP of 5.55, 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-cyclopropyl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 42774940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).