N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-3-ylacetamide

C16H16N4OS — CID 124761273

IUPACN-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)N[C@H](Cn1nccn1)c1ccccc1
InChIInChI=1S/C16H16N4OS/c21-16(10-13-6-9-22-12-13)19-15(11-20-17-7-8-18-20)14-4-2-1-3-5-14/h1-9,12,15H,10-11H2,(H,19,21)/t15-/m1/s1
InChIKeyXVMNCRNUWZHNOJ-OAHLLOKOSA-N
MW312.40 g/mol
LogP2.44
Rot. Bonds6

About N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-3-ylacetamide

N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-3-ylacetamide (PubChem CID 124761273) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-3-ylacetamide
PubChem CID124761273
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)N[C@H](Cn1nccn1)c1ccccc1
InChIInChI=1S/C16H16N4OS/c21-16(10-13-6-9-22-12-13)19-15(11-20-17-7-8-18-20)14-4-2-1-3-5-14/h1-9,12,15H,10-11H2,(H,19,21)/t15-/m1/s1
InChIKeyXVMNCRNUWZHNOJ-OAHLLOKOSA-N
XLogP2.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 124759725
2-((4-fluorophenyl)thio)-N-(1-phenyl-2-(2H-1,2,3-triazol-2-yl)ethyl)acetamide
CID 92119965
5-fluoro-N-(1-phenyl-2-(2H-1,2,3-triazol-2-yl)ethyl)benzo[b]thiophene-2-carboxamide
CID 121176322
5-fluoro-N-(3-methyl-1-(2H-1,2,3-triazol-2-yl)butan-2-yl)benzo[b]thiophene-2-carboxamide
CID 121176741
N-(2-(2H-1,2,3-triazol-2-yl)ethyl)-5-fluorobenzo[b]thiophene-2-carboxamide
CID 121177214
2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide
CID 124891579
2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide
CID 124891580
3-[5-oxo-2-(2-thienylmethyl)-2-pyrrolidinyl]-N-[(2-phenyl-2H-1,2,3-triazol-4-yl)methyl]propanamide
CID 45212668
2-[5-(1,2,3-Triazol-2-ylmethyl)thien-2-yl]-N-[2-(mercaptomethyl)-4-phenylbutyryl]glycine
CID 22120826
N-[(2S)-1-amino-3-phenylpropan-2-yl]-4-(3-methyltriazol-4-yl)thiophene-2-carboxamide
CID 57826859
N-(1-amino-3-phenylpropan-2-yl)-4-(3-methyltriazol-4-yl)thiophene-2-carboxamide
CID 71072661
N-[1-(1-ethyltriazol-4-yl)-3-phenylpropyl]thiophene-3-carboxamide
CID 124010042

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-3-ylacetamide (CID 124761273) is N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)N[C@H](Cn1nccn1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-3-ylacetamide?
The InChIKey is XVMNCRNUWZHNOJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16N4OS/c21-16(10-13-6-9-22-12-13)19-15(11-20-17-7-8-18-20)14-4-2-1-3-5-14/h1-9,12,15H,10-11H2,(H,19,21)/t15-/m1/s1.
What are the key properties of N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-3-ylacetamide?
N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-3-ylacetamide has a molecular weight of 312.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 124761273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).