N-[(2R)-3-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide

C17H21N3O2S — CID 30889612

IUPACN-[(2R)-3-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCCc1cccnc1
InChIInChI=1S/C17H21N3O2S/c1-12(2)15(20-16(21)14-6-4-10-23-14)17(22)19-9-7-13-5-3-8-18-11-13/h3-6,8,10-12,15H,7,9H2,1-2H3,(H,19,22)(H,20,21)/t15-/m1/s1
InChIKeyYTAZJIZKCSRYCP-OAHLLOKOSA-N
MW331.44 g/mol
LogP2.26
Rot. Bonds7

About N-[(2R)-3-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide

N-[(2R)-3-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide (PubChem CID 30889612) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[(2R)-3-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide
PubChem CID30889612
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[(2R)-3-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCCc1cccnc1
InChIInChI=1S/C17H21N3O2S/c1-12(2)15(20-16(21)14-6-4-10-23-14)17(22)19-9-7-13-5-3-8-18-11-13/h3-6,8,10-12,15H,7,9H2,1-2H3,(H,19,22)(H,20,21)/t15-/m1/s1
InChIKeyYTAZJIZKCSRYCP-OAHLLOKOSA-N
XLogP2.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-3-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

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CID 35973505
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CID 119384385
2-amino-N-(2-pyridin-3-ylethyl)-2-thiophen-2-ylacetamide
CID 113279110
N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119432694
N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 42919417
N-[(2R)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 27161634
N-[3-methyl-1-[(2-methylpyrazol-3-yl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 42958272
N-[1-[(4-hydroxy-2-methylpentyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 111447667
N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 42889829
2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide
CID 60913916
N-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46669254
N-[1-[[4-(ethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 42955486

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2R)-3-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide (CID 30889612) is N-[(2R)-3-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-3-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-3-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide is CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCCc1cccnc1.
What is the InChIKey of N-[(2R)-3-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide?
The InChIKey is YTAZJIZKCSRYCP-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12(2)15(20-16(21)14-6-4-10-23-14)17(22)19-9-7-13-5-3-8-18-11-13/h3-6,8,10-12,15H,7,9H2,1-2H3,(H,19,22)(H,20,21)/t15-/m1/s1.
What are the key properties of N-[(2R)-3-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide?
N-[(2R)-3-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 30889612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).