N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methylthiophene-2-carboxamide

C12H17NO4S — CID 154823440

IUPACN-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@H]2CCO[C@H](CO)[C@H]2O)s1
InChIInChI=1S/C12H17NO4S/c1-7-2-3-10(18-7)12(16)13-8-4-5-17-9(6-14)11(8)15/h2-3,8-9,11,14-15H,4-6H2,1H3,(H,13,16)/t8-,9+,11-/m0/s1
InChIKeyVVXNKWUBKBTDBN-NGZCFLSTSA-N
MW271.34 g/mol
LogP0.30
Rot. Bonds3

About N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methylthiophene-2-carboxamide

N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methylthiophene-2-carboxamide (PubChem CID 154823440) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methylthiophene-2-carboxamide
PubChem CID154823440
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC NameN-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@H]2CCO[C@H](CO)[C@H]2O)s1
InChIInChI=1S/C12H17NO4S/c1-7-2-3-10(18-7)12(16)13-8-4-5-17-9(6-14)11(8)15/h2-3,8-9,11,14-15H,4-6H2,1H3,(H,13,16)/t8-,9+,11-/m0/s1
InChIKeyVVXNKWUBKBTDBN-NGZCFLSTSA-N
XLogP0.30
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,3-benzodioxole-5-carboxamide
CID 154567269
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylthiophene-2-carboxamide
CID 104957425
5-chloro-2-fluoro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide
CID 154563568
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-piperidin-1-ylbenzamide
CID 154823860
N-(2-chlorocyclohexyl)-5-methylthiophene-2-carboxamide
CID 114301167
N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-5-methylthiophene-2-carboxamide
CID 91785262
N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-5-methylthiophene-2-carboxamide
CID 110127722
N-[4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]thiophene-2-carboxamide
CID 162969601
N-(2-cyclopentyl-2-hydroxyethyl)-5-methylthiophene-2-carboxamide
CID 111426354
N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-5-methylthiophene-2-carboxamide
CID 110127788
5-cyclohexyl-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-pyrazole-4-carboxamide
CID 154566671
formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 155940223

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methylthiophene-2-carboxamide (CID 154823440) is N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)N[C@H]2CCO[C@H](CO)[C@H]2O)s1.
What is the InChIKey of N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methylthiophene-2-carboxamide?
The InChIKey is VVXNKWUBKBTDBN-NGZCFLSTSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-7-2-3-10(18-7)12(16)13-8-4-5-17-9(6-14)11(8)15/h2-3,8-9,11,14-15H,4-6H2,1H3,(H,13,16)/t8-,9+,11-/m0/s1.
What are the key properties of N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methylthiophene-2-carboxamide?
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methylthiophene-2-carboxamide has a molecular weight of 271.34 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 154823440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).