N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide

C12H13NO2S2 — CID 95983240

IUPACN-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide
SMILESC[C@](O)(CNC(=O)c1ccsc1)c1cccs1
InChIInChI=1S/C12H13NO2S2/c1-12(15,10-3-2-5-17-10)8-13-11(14)9-4-6-16-7-9/h2-7,15H,8H2,1H3,(H,13,14)/t12-/m0/s1
InChIKeyGHGFZRBQHCHSCC-LBPRGKRZSA-N
MW267.38 g/mol
LogP2.45
Rot. Bonds4

About N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide

N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide (PubChem CID 95983240) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide
PubChem CID95983240
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC NameN-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide
SMILESC[C@](O)(CNC(=O)c1ccsc1)c1cccs1
InChIInChI=1S/C12H13NO2S2/c1-12(15,10-3-2-5-17-10)8-13-11(14)9-4-6-16-7-9/h2-7,15H,8H2,1H3,(H,13,14)/t12-/m0/s1
InChIKeyGHGFZRBQHCHSCC-LBPRGKRZSA-N
XLogP2.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide
CID 65110228
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide
CID 90499845
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
N-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide
CID 71782534
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methylthiophene-2-carboxamide
CID 95983247
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide
CID 90499769
2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983276
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
3-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983254
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-nitrobenzamide
CID 90499784
N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide
CID 115364717
2,3-difluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111441795

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide (CID 95983240) is N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide is C[C@](O)(CNC(=O)c1ccsc1)c1cccs1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide?
The InChIKey is GHGFZRBQHCHSCC-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-12(15,10-3-2-5-17-10)8-13-11(14)9-4-6-16-7-9/h2-7,15H,8H2,1H3,(H,13,14)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide?
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide has a molecular weight of 267.38 g/mol, XLogP of 2.45, 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-2-ylpropyl]thiophene-3-carboxamide is sourced from PubChem (CID 95983240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).