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

C23H21N3O2S — CID 9323762

IUPACN-[3-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NCCCn1ccc2ccccc21)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C23H21N3O2S/c27-22(24-12-5-13-26-14-11-17-6-1-2-9-20(17)26)18-7-3-8-19(16-18)25-23(28)21-10-4-15-29-21/h1-4,6-11,14-16H,5,12-13H2,(H,24,27)(H,25,28)
InChIKeyAILLNXPREXWQGZ-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.78
Rot. Bonds7

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

N-[3-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 9323762) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[3-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID9323762
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-[3-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NCCCn1ccc2ccccc21)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C23H21N3O2S/c27-22(24-12-5-13-26-14-11-17-6-1-2-9-20(17)26)18-7-3-8-19(16-18)25-23(28)21-10-4-15-29-21/h1-4,6-11,14-16H,5,12-13H2,(H,24,27)(H,25,28)
InChIKeyAILLNXPREXWQGZ-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-[2-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 30689470
N-[3-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55660173
N-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 119393887
N-[3-(2-phenoxyethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27758223
N-[1-[3-(dimethylamino)propyl]indol-5-yl]thiophene-2-carboxamide
CID 141192457
N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55437340
N-[3-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 18157126
4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide
CID 22237561
N-(3-indol-1-ylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49192639
N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119643191
N-[3-[2-(cycloheptylamino)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 119621058
N-[3-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27845138

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 9323762) is N-[3-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide is O=C(NCCCn1ccc2ccccc21)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is AILLNXPREXWQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c27-22(24-12-5-13-26-14-11-17-6-1-2-9-20(17)26)18-7-3-8-19(16-18)25-23(28)21-10-4-15-29-21/h1-4,6-11,14-16H,5,12-13H2,(H,24,27)(H,25,28).
What are the key properties of N-[3-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide?
N-[3-(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-[3-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 9323762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).