N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-thiophen-2-ylbutanamide

C13H18N4OS — CID 129478459

IUPACN-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-thiophen-2-ylbutanamide
SMILESC[C@@H](NC(=O)CCCc1cccs1)c1ncnn1C
InChIInChI=1S/C13H18N4OS/c1-10(13-14-9-15-17(13)2)16-12(18)7-3-5-11-6-4-8-19-11/h4,6,8-10H,3,5,7H2,1-2H3,(H,16,18)/t10-/m1/s1
InChIKeyVTZSFDCGGOOLMP-SNVBAGLBSA-N
MW278.38 g/mol
LogP2.08
Rot. Bonds6

About N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-thiophen-2-ylbutanamide

N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-thiophen-2-ylbutanamide (PubChem CID 129478459) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-thiophen-2-ylbutanamide
PubChem CID129478459
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-thiophen-2-ylbutanamide
SMILESC[C@@H](NC(=O)CCCc1cccs1)c1ncnn1C
InChIInChI=1S/C13H18N4OS/c1-10(13-14-9-15-17(13)2)16-12(18)7-3-5-11-6-4-8-19-11/h4,6,8-10H,3,5,7H2,1-2H3,(H,16,18)/t10-/m1/s1
InChIKeyVTZSFDCGGOOLMP-SNVBAGLBSA-N
XLogP2.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 43297812
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 51726837
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 51726838
N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide
CID 83179701
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 131916941
N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide
CID 78785345
N-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide
CID 47097276
2-(1-methylpyrazol-4-yl)-2-(4-thiophen-2-ylbutanoylamino)acetic acid
CID 115288173
N-[(1S)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-thiophen-2-ylbutanamide
CID 96509347
ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate
CID 61343312
N-(2-methylpropoxy)-4-thiophen-2-ylbutanamide
CID 115409895
N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 91781933

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-thiophen-2-ylbutanamide (CID 129478459) is N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-thiophen-2-ylbutanamide is C[C@@H](NC(=O)CCCc1cccs1)c1ncnn1C.
What is the InChIKey of N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-thiophen-2-ylbutanamide?
The InChIKey is VTZSFDCGGOOLMP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-10(13-14-9-15-17(13)2)16-12(18)7-3-5-11-6-4-8-19-11/h4,6,8-10H,3,5,7H2,1-2H3,(H,16,18)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-thiophen-2-ylbutanamide?
N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-thiophen-2-ylbutanamide has a molecular weight of 278.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 129478459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).