4-bromo-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]thiophene-2-carboxamide

C10H14BrNO2S2 — CID 99695648

IUPAC4-bromo-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]thiophene-2-carboxamide
SMILESCSC[C@](C)(O)CNC(=O)c1cc(Br)cs1
InChIInChI=1S/C10H14BrNO2S2/c1-10(14,6-15-2)5-12-9(13)8-3-7(11)4-16-8/h3-4,14H,5-6H2,1-2H3,(H,12,13)/t10-/m1/s1
InChIKeyLHDAPBUYAQNOMV-SNVBAGLBSA-N
MW324.27 g/mol
LogP2.35
Rot. Bonds5

About 4-bromo-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]thiophene-2-carboxamide

4-bromo-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]thiophene-2-carboxamide (PubChem CID 99695648) has the molecular formula C10H14BrNO2S2 and a molecular weight of 324.27 g/mol. Its IUPAC name is 4-bromo-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]thiophene-2-carboxamide
PubChem CID99695648
Molecular FormulaC10H14BrNO2S2
Molecular Weight324.27 g/mol
Exact Mass322.96
IUPAC Name4-bromo-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]thiophene-2-carboxamide
SMILESCSC[C@](C)(O)CNC(=O)c1cc(Br)cs1
InChIInChI=1S/C10H14BrNO2S2/c1-10(14,6-15-2)5-12-9(13)8-3-7(11)4-16-8/h3-4,14H,5-6H2,1-2H3,(H,12,13)/t10-/m1/s1
InChIKeyLHDAPBUYAQNOMV-SNVBAGLBSA-N
XLogP2.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2,6-difluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 103747096
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thieno[3,2-b]thiophene-5-carboxamide
CID 113239558
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide
CID 90522939
4-bromo-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-1-methylpyrrole-2-carboxamide
CID 96565339
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylthiophene-2-carboxamide
CID 114162956
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiophene-2-carboxamide
CID 95984279
3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 106244209
3-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylbenzamide
CID 103720300
2-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylbenzamide
CID 103773569
4-bromo-3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 113342863
3-bromo-4-fluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 103707610
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-propyl-1,3-thiazole-5-carboxamide
CID 111463024

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]thiophene-2-carboxamide (CID 99695648) is 4-bromo-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]thiophene-2-carboxamide is CSC[C@](C)(O)CNC(=O)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]thiophene-2-carboxamide?
The InChIKey is LHDAPBUYAQNOMV-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14BrNO2S2/c1-10(14,6-15-2)5-12-9(13)8-3-7(11)4-16-8/h3-4,14H,5-6H2,1-2H3,(H,12,13)/t10-/m1/s1.
What are the key properties of 4-bromo-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]thiophene-2-carboxamide?
4-bromo-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]thiophene-2-carboxamide has a molecular weight of 324.27 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]thiophene-2-carboxamide is sourced from PubChem (CID 99695648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).