N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]-2-(1,2,4-triazol-1-yl)acetamide

C14H20N4OS — CID 94635884

IUPACN-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCCC(CC)[C@H](NC(=O)Cn1cncn1)c1cccs1
InChIInChI=1S/C14H20N4OS/c1-3-11(4-2)14(12-6-5-7-20-12)17-13(19)8-18-10-15-9-16-18/h5-7,9-11,14H,3-4,8H2,1-2H3,(H,17,19)/t14-/m0/s1
InChIKeyQWOHBCDYALZBCM-AWEZNQCLSA-N
MW292.41 g/mol
LogP2.63
Rot. Bonds7

About N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 94635884) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID94635884
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCCC(CC)[C@H](NC(=O)Cn1cncn1)c1cccs1
InChIInChI=1S/C14H20N4OS/c1-3-11(4-2)14(12-6-5-7-20-12)17-13(19)8-18-10-15-9-16-18/h5-7,9-11,14H,3-4,8H2,1-2H3,(H,17,19)/t14-/m0/s1
InChIKeyQWOHBCDYALZBCM-AWEZNQCLSA-N
XLogP2.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide
CID 119300986
N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-propan-2-ylsulfonylacetamide
CID 94635932
N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
CID 55904295
N-[(1R)-1-thiophen-2-ylethyl]-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129429028
N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-(2-fluorophenyl)acetamide
CID 51966644
2-[(2-pyrazol-1-ylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 115283765
N-[1-(3,4-dichlorophenyl)butyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 56822052
N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55904547
N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 55984026
N-(6-chloro-2-pyridinyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 115683262
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 95040075
N-(2-aminobutyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 63730542

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 94635884) is N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]-2-(1,2,4-triazol-1-yl)acetamide is CCC(CC)[C@H](NC(=O)Cn1cncn1)c1cccs1.
What is the InChIKey of N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is QWOHBCDYALZBCM-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-11(4-2)14(12-6-5-7-20-12)17-13(19)8-18-10-15-9-16-18/h5-7,9-11,14H,3-4,8H2,1-2H3,(H,17,19)/t14-/m0/s1.
What are the key properties of N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 292.41 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 94635884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).