(2R,5R)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide

C12H15BrN2O3S — CID 99835307

IUPAC(2R,5R)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide
SMILESCc1csc(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c1Br
InChIInChI=1S/C12H15BrN2O3S/c1-6-5-19-10(9(6)13)12(17)15-4-7-2-3-8(18-7)11(14)16/h5,7-8H,2-4H2,1H3,(H2,14,16)(H,15,17)/t7-,8-/m1/s1
InChIKeyOKKWDEHSLHSHEJ-HTQZYQBOSA-N
MW347.23 g/mol
LogP1.58
Rot. Bonds4

About (2R,5R)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide

(2R,5R)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide (PubChem CID 99835307) has the molecular formula C12H15BrN2O3S and a molecular weight of 347.23 g/mol. Its IUPAC name is (2R,5R)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,5R)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide
PubChem CID99835307
Molecular FormulaC12H15BrN2O3S
Molecular Weight347.23 g/mol
Exact Mass346.00
IUPAC Name(2R,5R)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide
SMILESCc1csc(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c1Br
InChIInChI=1S/C12H15BrN2O3S/c1-6-5-19-10(9(6)13)12(17)15-4-7-2-3-8(18-7)11(14)16/h5,7-8H,2-4H2,1H3,(H2,14,16)(H,15,17)/t7-,8-/m1/s1
InChIKeyOKKWDEHSLHSHEJ-HTQZYQBOSA-N
XLogP1.58
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,5R)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide with MolForge

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Related Compounds

(2R,5S)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide
CID 99835306
5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide
CID 119946036
(2R,5R)-5-[[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]oxolane-2-carboxamide
CID 97225540
5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxamide
CID 120669246
N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 97067758
5-[[(2-bromo-3-methylbenzoyl)amino]methyl]oxolane-2-carboxylic acid
CID 107981508
(2R,5S)-5-[[[4-(2-methylbutan-2-yl)benzoyl]amino]methyl]oxolane-2-carboxamide
CID 97241017
5-[[(2-amino-2-methylpentanoyl)amino]methyl]oxolane-2-carboxamide
CID 119822336
(2S,5S)-5-[[[2-(2,3-dichlorophenyl)acetyl]amino]methyl]oxolane-2-carboxamide
CID 129403186
5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide
CID 71851839
5-[[(6-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide
CID 133380624
5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide
CID 119822338

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide?
The IUPAC name of (2R,5R)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide (CID 99835307) is (2R,5R)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R,5R)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2R,5R)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide is Cc1csc(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c1Br.
What is the InChIKey of (2R,5R)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide?
The InChIKey is OKKWDEHSLHSHEJ-HTQZYQBOSA-N. The full InChI is InChI=1S/C12H15BrN2O3S/c1-6-5-19-10(9(6)13)12(17)15-4-7-2-3-8(18-7)11(14)16/h5,7-8H,2-4H2,1H3,(H2,14,16)(H,15,17)/t7-,8-/m1/s1.
What are the key properties of (2R,5R)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide?
(2R,5R)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide has a molecular weight of 347.23 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 99835307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).