2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide

C15H22N4OS — CID 95349347

IUPAC2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide
SMILESC[C@H](NCC(=O)NCCc1cccs1)[C@@H](C)n1cccn1
InChIInChI=1S/C15H22N4OS/c1-12(13(2)19-9-4-7-18-19)17-11-15(20)16-8-6-14-5-3-10-21-14/h3-5,7,9-10,12-13,17H,6,8,11H2,1-2H3,(H,16,20)/t12-,13+/m0/s1
InChIKeyBONZODNDWZBYTI-QWHCGFSZSA-N
MW306.44 g/mol
LogP1.84
Rot. Bonds8

About 2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide

2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 95349347) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID95349347
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide
SMILESC[C@H](NCC(=O)NCCc1cccs1)[C@@H](C)n1cccn1
InChIInChI=1S/C15H22N4OS/c1-12(13(2)19-9-4-7-18-19)17-11-15(20)16-8-6-14-5-3-10-21-14/h3-5,7,9-10,12-13,17H,6,8,11H2,1-2H3,(H,16,20)/t12-,13+/m0/s1
InChIKeyBONZODNDWZBYTI-QWHCGFSZSA-N
XLogP1.84
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide with MolForge

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Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
CID 95759523
2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 95325251
N-methyl-2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 8772566
N-[(1-phenylcyclopropyl)methyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
CID 95341643
2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 95344299
2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-pyridin-3-ylacetamide
CID 95345808
(2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
CID 94199388
2-(2-methoxyethylamino)-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687947
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
(2R,3S)-N-(2-phenylethyl)-3-pyrazol-1-ylbutan-2-amine
CID 95346375
N-ethyl-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide
CID 95613902
4-amino-3-methoxy-N-(2-thiophen-2-ylethyl)butanamide;hydrochloride
CID 120587130

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide (CID 95349347) is 2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide is C[C@H](NCC(=O)NCCc1cccs1)[C@@H](C)n1cccn1.
What is the InChIKey of 2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is BONZODNDWZBYTI-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-12(13(2)19-9-4-7-18-19)17-11-15(20)16-8-6-14-5-3-10-21-14/h3-5,7,9-10,12-13,17H,6,8,11H2,1-2H3,(H,16,20)/t12-,13+/m0/s1.
What are the key properties of 2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide?
2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 306.44 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 95349347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).