N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-4-methylthiophene-2-carboxamide

C11H17NO3S — CID 95368833

IUPACN-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-4-methylthiophene-2-carboxamide
SMILESCOC[C@@](C)(O)CNC(=O)c1cc(C)cs1
InChIInChI=1S/C11H17NO3S/c1-8-4-9(16-5-8)10(13)12-6-11(2,14)7-15-3/h4-5,14H,6-7H2,1-3H3,(H,12,13)/t11-/m0/s1
InChIKeyFLWDDUCKYIQOCM-NSHDSACASA-N
MW243.33 g/mol
LogP1.18
Rot. Bonds5

About N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-4-methylthiophene-2-carboxamide

N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-4-methylthiophene-2-carboxamide (PubChem CID 95368833) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-4-methylthiophene-2-carboxamide
PubChem CID95368833
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-4-methylthiophene-2-carboxamide
SMILESCOC[C@@](C)(O)CNC(=O)c1cc(C)cs1
InChIInChI=1S/C11H17NO3S/c1-8-4-9(16-5-8)10(13)12-6-11(2,14)7-15-3/h4-5,14H,6-7H2,1-3H3,(H,12,13)/t11-/m0/s1
InChIKeyFLWDDUCKYIQOCM-NSHDSACASA-N
XLogP1.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-4-methylthiophene-2-carboxamide (CID 95368833) is N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-4-methylthiophene-2-carboxamide is COC[C@@](C)(O)CNC(=O)c1cc(C)cs1.
What is the InChIKey of N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-4-methylthiophene-2-carboxamide?
The InChIKey is FLWDDUCKYIQOCM-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO3S/c1-8-4-9(16-5-8)10(13)12-6-11(2,14)7-15-3/h4-5,14H,6-7H2,1-3H3,(H,12,13)/t11-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-4-methylthiophene-2-carboxamide?
N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-4-methylthiophene-2-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 95368833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).