N-[2-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide

C23H21N3O2S — CID 30689470

IUPACN-[2-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCCCn1ccc2ccccc21)c1cccs1
InChIInChI=1S/C23H21N3O2S/c27-22(24-13-6-14-26-15-12-17-7-1-4-10-20(17)26)18-8-2-3-9-19(18)25-23(28)21-11-5-16-29-21/h1-5,7-12,15-16H,6,13-14H2,(H,24,27)(H,25,28)
InChIKeyGQVHFNVVVCYPPV-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.78
Rot. Bonds7

About N-[2-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide

N-[2-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 30689470) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[2-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID30689470
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-[2-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCCCn1ccc2ccccc21)c1cccs1
InChIInChI=1S/C23H21N3O2S/c27-22(24-13-6-14-26-15-12-17-7-1-4-10-20(17)26)18-8-2-3-9-19(18)25-23(28)21-11-5-16-29-21/h1-5,7-12,15-16H,6,13-14H2,(H,24,27)(H,25,28)
InChIKeyGQVHFNVVVCYPPV-UHFFFAOYSA-N
XLogP4.78
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9323762
N-[2-(2-phenylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2992339
N-(2-indol-1-ylethyl)-2-iodobenzamide
CID 3247556
2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide
CID 25355760
N-[2-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]phenyl]prop-2-enamide
CID 166420765
methyl 5-(3-indol-1-ylpropylcarbamoyl)thiophene-2-carboxylate
CID 134050299
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397
N-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24653521
4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide
CID 22237561
2-bromo-N-(3-indol-1-ylpropyl)-5-sulfamoylbenzamide
CID 25393245
2-(2-cyanophenyl)sulfanyl-N-(3-indol-1-ylpropyl)benzamide
CID 55527545
N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 23913368

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 30689470) is N-[2-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1C(=O)NCCCn1ccc2ccccc21)c1cccs1.
What is the InChIKey of N-[2-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is GQVHFNVVVCYPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c27-22(24-13-6-14-26-15-12-17-7-1-4-10-20(17)26)18-8-2-3-9-19(18)25-23(28)21-11-5-16-29-21/h1-5,7-12,15-16H,6,13-14H2,(H,24,27)(H,25,28).
What are the key properties of N-[2-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide?
N-[2-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 30689470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).