N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[(2R)-1-thiophen-2-ylpropan-2-yl]amino]acetamide

C16H24N4OS — CID 95125451

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[(2R)-1-thiophen-2-ylpropan-2-yl]amino]acetamide
SMILESCCn1nc(C)c(NC(=O)CN[C@H](C)Cc2cccs2)c1C
InChIInChI=1S/C16H24N4OS/c1-5-20-13(4)16(12(3)19-20)18-15(21)10-17-11(2)9-14-7-6-8-22-14/h6-8,11,17H,5,9-10H2,1-4H3,(H,18,21)/t11-/m1/s1
InChIKeyWGDZDLGVXOSDNC-LLVKDONJSA-N
MW320.46 g/mol
LogP2.74
Rot. Bonds7

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[(2R)-1-thiophen-2-ylpropan-2-yl]amino]acetamide

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[(2R)-1-thiophen-2-ylpropan-2-yl]amino]acetamide (PubChem CID 95125451) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[(2R)-1-thiophen-2-ylpropan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[(2R)-1-thiophen-2-ylpropan-2-yl]amino]acetamide
PubChem CID95125451
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[(2R)-1-thiophen-2-ylpropan-2-yl]amino]acetamide
SMILESCCn1nc(C)c(NC(=O)CN[C@H](C)Cc2cccs2)c1C
InChIInChI=1S/C16H24N4OS/c1-5-20-13(4)16(12(3)19-20)18-15(21)10-17-11(2)9-14-7-6-8-22-14/h6-8,11,17H,5,9-10H2,1-4H3,(H,18,21)/t11-/m1/s1
InChIKeyWGDZDLGVXOSDNC-LLVKDONJSA-N
XLogP2.74
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[(2R)-1-thiophen-2-ylpropan-2-yl]amino]acetamide with MolForge

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Related Compounds

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(1-pyrazin-2-ylpropan-2-ylamino)acetamide
CID 50974325
N-butyl-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
CID 60765676
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186
N-(oxan-4-yl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
CID 63291806
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 131916941
N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide
CID 102673467
N-(2-cyanoethyl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
CID 63291377
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 64800130
3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 63291768
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
1-methyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
CID 99933458
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8869335

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[(2R)-1-thiophen-2-ylpropan-2-yl]amino]acetamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[(2R)-1-thiophen-2-ylpropan-2-yl]amino]acetamide (CID 95125451) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[(2R)-1-thiophen-2-ylpropan-2-yl]amino]acetamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[(2R)-1-thiophen-2-ylpropan-2-yl]amino]acetamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[(2R)-1-thiophen-2-ylpropan-2-yl]amino]acetamide is CCn1nc(C)c(NC(=O)CN[C@H](C)Cc2cccs2)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[(2R)-1-thiophen-2-ylpropan-2-yl]amino]acetamide?
The InChIKey is WGDZDLGVXOSDNC-LLVKDONJSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-5-20-13(4)16(12(3)19-20)18-15(21)10-17-11(2)9-14-7-6-8-22-14/h6-8,11,17H,5,9-10H2,1-4H3,(H,18,21)/t11-/m1/s1.
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[(2R)-1-thiophen-2-ylpropan-2-yl]amino]acetamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[(2R)-1-thiophen-2-ylpropan-2-yl]amino]acetamide has a molecular weight of 320.46 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[(2R)-1-thiophen-2-ylpropan-2-yl]amino]acetamide is sourced from PubChem (CID 95125451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).