N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]thiophene-3-carboxamide

C11H17NO3S — CID 164634589

IUPACN-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]thiophene-3-carboxamide
SMILESCOCC[C@](C)(O)CNC(=O)c1ccsc1
InChIInChI=1S/C11H17NO3S/c1-11(14,4-5-15-2)8-12-10(13)9-3-6-16-7-9/h3,6-7,14H,4-5,8H2,1-2H3,(H,12,13)/t11-/m0/s1
InChIKeyJPFHYWPEWSOUOY-NSHDSACASA-N
MW243.33 g/mol
LogP1.27
Rot. Bonds6

About N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]thiophene-3-carboxamide

N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]thiophene-3-carboxamide (PubChem CID 164634589) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]thiophene-3-carboxamide
PubChem CID164634589
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]thiophene-3-carboxamide
SMILESCOCC[C@](C)(O)CNC(=O)c1ccsc1
InChIInChI=1S/C11H17NO3S/c1-11(14,4-5-15-2)8-12-10(13)9-3-6-16-7-9/h3,6-7,14H,4-5,8H2,1-2H3,(H,12,13)/t11-/m0/s1
InChIKeyJPFHYWPEWSOUOY-NSHDSACASA-N
XLogP1.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.27
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-4-methoxy-2-methylbutyl]thiophene-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]thiophene-3-carboxamide (CID 164634589) is N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]thiophene-3-carboxamide is COCC[C@](C)(O)CNC(=O)c1ccsc1.
What is the InChIKey of N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]thiophene-3-carboxamide?
The InChIKey is JPFHYWPEWSOUOY-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO3S/c1-11(14,4-5-15-2)8-12-10(13)9-3-6-16-7-9/h3,6-7,14H,4-5,8H2,1-2H3,(H,12,13)/t11-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]thiophene-3-carboxamide?
N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]thiophene-3-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]thiophene-3-carboxamide is sourced from PubChem (CID 164634589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).