4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide

C13H16N2O2S — CID 7437573

IUPAC4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)NC[C@H]2CCCO2)cc2sccc21
InChIInChI=1S/C13H16N2O2S/c1-15-10-4-6-18-12(10)7-11(15)13(16)14-8-9-3-2-5-17-9/h4,6-7,9H,2-3,5,8H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyLBTJTOKFMKPYAR-SECBINFHSA-N
MW264.35 g/mol
LogP2.15
Rot. Bonds3

About 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide

4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 7437573) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID7437573
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)NC[C@H]2CCCO2)cc2sccc21
InChIInChI=1S/C13H16N2O2S/c1-15-10-4-6-18-12(10)7-11(15)13(16)14-8-9-3-2-5-17-9/h4,6-7,9H,2-3,5,8H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyLBTJTOKFMKPYAR-SECBINFHSA-N
XLogP2.15
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(E)-but-2-enyl]-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93324353
N-(oxolan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038852
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
4-benzyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93327510
1-N,1-N,4-trimethyl-2-N-(oxolan-2-ylmethyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 131659664
2-(12-ethyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 20884311
N-[2-(2-hydroxypropylamino)-2-oxoethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 75767553
3-bromo-4-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46040414
4-(4-chlorophenyl)-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carboxamide
CID 95096640
5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide
CID 17191153
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
4-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]indole-2-carboxamide
CID 97441774

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 7437573) is 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide is Cn1c(C(=O)NC[C@H]2CCCO2)cc2sccc21.
What is the InChIKey of 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is LBTJTOKFMKPYAR-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-15-10-4-6-18-12(10)7-11(15)13(16)14-8-9-3-2-5-17-9/h4,6-7,9H,2-3,5,8H2,1H3,(H,14,16)/t9-/m1/s1.
What are the key properties of 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide?
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 7437573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).