3-(tert-butylamino)-N-(2-thiophen-2-ylphenyl)propanamide

C17H22N2OS — CID 60850106

IUPAC3-(tert-butylamino)-N-(2-thiophen-2-ylphenyl)propanamide
SMILESCC(C)(C)NCCC(=O)Nc1ccccc1-c1cccs1
InChIInChI=1S/C17H22N2OS/c1-17(2,3)18-11-10-16(20)19-14-8-5-4-7-13(14)15-9-6-12-21-15/h4-9,12,18H,10-11H2,1-3H3,(H,19,20)
InChIKeyGJVCXZOENYJQRA-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.13
Rot. Bonds5

About 3-(tert-butylamino)-N-(2-thiophen-2-ylphenyl)propanamide

3-(tert-butylamino)-N-(2-thiophen-2-ylphenyl)propanamide (PubChem CID 60850106) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(2-thiophen-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(2-thiophen-2-ylphenyl)propanamide
PubChem CID60850106
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name3-(tert-butylamino)-N-(2-thiophen-2-ylphenyl)propanamide
SMILESCC(C)(C)NCCC(=O)Nc1ccccc1-c1cccs1
InChIInChI=1S/C17H22N2OS/c1-17(2,3)18-11-10-16(20)19-14-8-5-4-7-13(14)15-9-6-12-21-15/h4-9,12,18H,10-11H2,1-3H3,(H,19,20)
InChIKeyGJVCXZOENYJQRA-UHFFFAOYSA-N
XLogP4.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylphenyl)acetamide
CID 51286975
1-(3-hydroxypropyl)-3-(2-thiophen-2-ylphenyl)urea
CID 110891086
3-methyl-5-oxo-5-(2-thiophen-2-ylanilino)pentanoic acid
CID 62966107
2-(2-methoxyethylamino)-N-(2-thiophen-2-ylphenyl)acetamide;hydrochloride
CID 119399994
4-chloro-N-[4-oxo-4-(2-thiophen-2-ylanilino)butyl]benzamide
CID 55469548
2-piperazin-1-yl-N-(2-thiophen-2-ylphenyl)acetamide
CID 60850013
2-piperidin-4-yl-N-(2-thiophen-2-ylphenyl)acetamide
CID 61028561
N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 17412743
2-methyl-3-(methylamino)-N-(2-thiophen-2-ylphenyl)propanamide
CID 79195857
2-(1H-indol-3-yl)-N-(2-thiophen-2-ylphenyl)acetamide
CID 17398563
3-(tert-butylamino)-N-thiophen-3-ylpropanamide
CID 66351972
(E)-4-oxo-4-(2-thiophen-2-ylanilino)but-2-enoic acid
CID 54868450

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(2-thiophen-2-ylphenyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(2-thiophen-2-ylphenyl)propanamide (CID 60850106) is 3-(tert-butylamino)-N-(2-thiophen-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(2-thiophen-2-ylphenyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(2-thiophen-2-ylphenyl)propanamide is CC(C)(C)NCCC(=O)Nc1ccccc1-c1cccs1.
What is the InChIKey of 3-(tert-butylamino)-N-(2-thiophen-2-ylphenyl)propanamide?
The InChIKey is GJVCXZOENYJQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-17(2,3)18-11-10-16(20)19-14-8-5-4-7-13(14)15-9-6-12-21-15/h4-9,12,18H,10-11H2,1-3H3,(H,19,20).
What are the key properties of 3-(tert-butylamino)-N-(2-thiophen-2-ylphenyl)propanamide?
3-(tert-butylamino)-N-(2-thiophen-2-ylphenyl)propanamide has a molecular weight of 302.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(2-thiophen-2-ylphenyl)propanamide is sourced from PubChem (CID 60850106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).