2-(3-phenylindazol-1-yl)-N-(2-thiophen-2-ylethyl)propanamide

C22H21N3OS — CID 20877636

IUPAC2-(3-phenylindazol-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESCC(C(=O)NCCc1cccs1)n1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C22H21N3OS/c1-16(22(26)23-14-13-18-10-7-15-27-18)25-20-12-6-5-11-19(20)21(24-25)17-8-3-2-4-9-17/h2-12,15-16H,13-14H2,1H3,(H,23,26)
InChIKeyAOSIOMWHDSADRB-UHFFFAOYSA-N
MW375.50 g/mol
LogP4.68
Rot. Bonds6

About 2-(3-phenylindazol-1-yl)-N-(2-thiophen-2-ylethyl)propanamide

2-(3-phenylindazol-1-yl)-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 20877636) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 2-(3-phenylindazol-1-yl)-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-(3-phenylindazol-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID20877636
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC Name2-(3-phenylindazol-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESCC(C(=O)NCCc1cccs1)n1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C22H21N3OS/c1-16(22(26)23-14-13-18-10-7-15-27-18)25-20-12-6-5-11-19(20)21(24-25)17-8-3-2-4-9-17/h2-12,15-16H,13-14H2,1H3,(H,23,26)
InChIKeyAOSIOMWHDSADRB-UHFFFAOYSA-N
XLogP4.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-phenylindazol-1-yl)-N-(2-thiophen-2-ylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-phenyltetrazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 86908769
(2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9037388
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide
CID 92667288
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenylindazol-1-yl)propanamide
CID 20877626
2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 78835231
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9033638
(2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9043467
4-(3-phenylindazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 20877655
2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 75858737
2-(3,5-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 75858751
2-methyl-6-phenyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 24532142
2-amino-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 24704735

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylindazol-1-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 2-(3-phenylindazol-1-yl)-N-(2-thiophen-2-ylethyl)propanamide (CID 20877636) is 2-(3-phenylindazol-1-yl)-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 2-(3-phenylindazol-1-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 2-(3-phenylindazol-1-yl)-N-(2-thiophen-2-ylethyl)propanamide is CC(C(=O)NCCc1cccs1)n1nc(-c2ccccc2)c2ccccc21.
What is the InChIKey of 2-(3-phenylindazol-1-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is AOSIOMWHDSADRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-16(22(26)23-14-13-18-10-7-15-27-18)25-20-12-6-5-11-19(20)21(24-25)17-8-3-2-4-9-17/h2-12,15-16H,13-14H2,1H3,(H,23,26).
What are the key properties of 2-(3-phenylindazol-1-yl)-N-(2-thiophen-2-ylethyl)propanamide?
2-(3-phenylindazol-1-yl)-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 375.50 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylindazol-1-yl)-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 20877636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).