4-(3-phenylindazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide

C22H21N3OS — CID 20877655

IUPAC4-(3-phenylindazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide
SMILESO=C(CCCn1nc(-c2ccccc2)c2ccccc21)NCc1cccs1
InChIInChI=1S/C22H21N3OS/c26-21(23-16-18-10-7-15-27-18)13-6-14-25-20-12-5-4-11-19(20)22(24-25)17-8-2-1-3-9-17/h1-5,7-12,15H,6,13-14,16H2,(H,23,26)
InChIKeyQNJNAXOHJFLOFU-UHFFFAOYSA-N
MW375.50 g/mol
LogP4.86
Rot. Bonds7

About 4-(3-phenylindazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide

4-(3-phenylindazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 20877655) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 4-(3-phenylindazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(3-phenylindazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide
PubChem CID20877655
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC Name4-(3-phenylindazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide
SMILESO=C(CCCn1nc(-c2ccccc2)c2ccccc21)NCc1cccs1
InChIInChI=1S/C22H21N3OS/c26-21(23-16-18-10-7-15-27-18)13-6-14-25-20-12-5-4-11-19(20)22(24-25)17-8-2-1-3-9-17/h1-5,7-12,15H,6,13-14,16H2,(H,23,26)
InChIKeyQNJNAXOHJFLOFU-UHFFFAOYSA-N
XLogP4.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-phenylindazol-1-yl)-N-(pyridin-2-ylmethyl)butanamide
CID 20877648
2-(2-oxo-4-phenylquinazolin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 20963084
4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 20892920
2-(3-phenylindazol-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 20877636
N-[4-oxo-4-(thiophen-2-ylmethylamino)butyl]benzamide
CID 39769052
N-[(4-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide
CID 3441862
3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 26835386
4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)butanamide
CID 100830827
N-benzyl-2-(thiophen-2-ylmethylamino)acetamide
CID 43242498
5-[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide
CID 50763304
5-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide
CID 27371272
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylindazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 4-(3-phenylindazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide (CID 20877655) is 4-(3-phenylindazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(3-phenylindazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 4-(3-phenylindazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide is O=C(CCCn1nc(-c2ccccc2)c2ccccc21)NCc1cccs1.
What is the InChIKey of 4-(3-phenylindazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is QNJNAXOHJFLOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c26-21(23-16-18-10-7-15-27-18)13-6-14-25-20-12-5-4-11-19(20)22(24-25)17-8-2-1-3-9-17/h1-5,7-12,15H,6,13-14,16H2,(H,23,26).
What are the key properties of 4-(3-phenylindazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide?
4-(3-phenylindazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 375.50 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylindazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 20877655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).