3-methoxy-5-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide

C13H19NO3S — CID 95381020

IUPAC3-methoxy-5-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)NCC[C@H]1CCCO1
InChIInChI=1S/C13H19NO3S/c1-9-8-11(16-2)12(18-9)13(15)14-6-5-10-4-3-7-17-10/h8,10H,3-7H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyDSGMEYFFCIJBFW-SNVBAGLBSA-N
MW269.37 g/mol
LogP2.36
Rot. Bonds5

About 3-methoxy-5-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide

3-methoxy-5-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide (PubChem CID 95381020) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-methoxy-5-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-5-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide
PubChem CID95381020
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name3-methoxy-5-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)NCC[C@H]1CCCO1
InChIInChI=1S/C13H19NO3S/c1-9-8-11(16-2)12(18-9)13(15)14-6-5-10-4-3-7-17-10/h8,10H,3-7H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyDSGMEYFFCIJBFW-SNVBAGLBSA-N
XLogP2.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-5-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-methoxy-5-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide (CID 95381020) is 3-methoxy-5-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-5-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-5-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide is COc1cc(C)sc1C(=O)NCC[C@H]1CCCO1.
What is the InChIKey of 3-methoxy-5-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is DSGMEYFFCIJBFW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-9-8-11(16-2)12(18-9)13(15)14-6-5-10-4-3-7-17-10/h8,10H,3-7H2,1-2H3,(H,14,15)/t10-/m1/s1.
What are the key properties of 3-methoxy-5-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide?
3-methoxy-5-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 95381020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).