N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-4-(1,2,4-triazol-4-yl)benzamide

C15H14N4O2S — CID 99952139

IUPACN-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NC[C@H](O)c1cccs1)c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C15H14N4O2S/c20-13(14-2-1-7-22-14)8-16-15(21)11-3-5-12(6-4-11)19-9-17-18-10-19/h1-7,9-10,13,20H,8H2,(H,16,21)/t13-/m0/s1
InChIKeyCEZFQWJZJPTJID-ZDUSSCGKSA-N
MW314.37 g/mol
LogP1.79
Rot. Bonds5

About N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-4-(1,2,4-triazol-4-yl)benzamide

N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 99952139) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID99952139
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC NameN-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NC[C@H](O)c1cccs1)c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C15H14N4O2S/c20-13(14-2-1-7-22-14)8-16-15(21)11-3-5-12(6-4-11)19-9-17-18-10-19/h1-7,9-10,13,20H,8H2,(H,16,21)/t13-/m0/s1
InChIKeyCEZFQWJZJPTJID-ZDUSSCGKSA-N
XLogP1.79
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90500059
N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
CID 82121701
3-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 71683855
N-(3-hydroxybutyl)-4-(1,2,4-triazol-4-yl)benzamide
CID 111433796
2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 97076524
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide
CID 90500029
3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90499972
N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]quinoxaline-2-carboxamide
CID 95983403
N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 95967203
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4782773
4-(benzimidazol-1-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 24625049
4-(tetrazol-1-yl)-N-(3-thiophen-2-ylpropyl)benzamide
CID 171132793

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-4-(1,2,4-triazol-4-yl)benzamide (CID 99952139) is N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-4-(1,2,4-triazol-4-yl)benzamide is O=C(NC[C@H](O)c1cccs1)c1ccc(-n2cnnc2)cc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is CEZFQWJZJPTJID-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14N4O2S/c20-13(14-2-1-7-22-14)8-16-15(21)11-3-5-12(6-4-11)19-9-17-18-10-19/h1-7,9-10,13,20H,8H2,(H,16,21)/t13-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-4-(1,2,4-triazol-4-yl)benzamide?
N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-4-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 314.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 99952139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).