N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]indolizine-2-carboxamide

C15H14N2O2S — CID 97227852

IUPACN-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]indolizine-2-carboxamide
SMILESO=C(NC[C@@H](O)c1ccsc1)c1cc2ccccn2c1
InChIInChI=1S/C15H14N2O2S/c18-14(11-4-6-20-10-11)8-16-15(19)12-7-13-3-1-2-5-17(13)9-12/h1-7,9-10,14,18H,8H2,(H,16,19)/t14-/m1/s1
InChIKeySNMYAIMVIQQBHX-CQSZACIVSA-N
MW286.36 g/mol
LogP2.46
Rot. Bonds4

About N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]indolizine-2-carboxamide

N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]indolizine-2-carboxamide (PubChem CID 97227852) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]indolizine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]indolizine-2-carboxamide
PubChem CID97227852
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]indolizine-2-carboxamide
SMILESO=C(NC[C@@H](O)c1ccsc1)c1cc2ccccn2c1
InChIInChI=1S/C15H14N2O2S/c18-14(11-4-6-20-10-11)8-16-15(19)12-7-13-3-1-2-5-17(13)9-12/h1-7,9-10,14,18H,8H2,(H,16,19)/t14-/m1/s1
InChIKeySNMYAIMVIQQBHX-CQSZACIVSA-N
XLogP2.46
TPSA53.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyran-3-carboxamide
CID 106436177
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide
CID 90496493
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide
CID 90496462
3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 111578613
4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496459
3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 103686182
N-(2-hydroxy-2-thiophen-3-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 52992616
3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 106434334
N-[(4-methylphenyl)methyl]indolizine-2-carboxamide
CID 46388289
N-[(4-bromophenyl)methyl]indolizine-2-carboxamide
CID 46388312
2-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686234

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]indolizine-2-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]indolizine-2-carboxamide (CID 97227852) is N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]indolizine-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]indolizine-2-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]indolizine-2-carboxamide is O=C(NC[C@@H](O)c1ccsc1)c1cc2ccccn2c1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]indolizine-2-carboxamide?
The InChIKey is SNMYAIMVIQQBHX-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14N2O2S/c18-14(11-4-6-20-10-11)8-16-15(19)12-7-13-3-1-2-5-17(13)9-12/h1-7,9-10,14,18H,8H2,(H,16,19)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]indolizine-2-carboxamide?
N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]indolizine-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]indolizine-2-carboxamide is sourced from PubChem (CID 97227852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).