N-[(3S,4R)-3-hydroxyoxan-4-yl]-4,5-dimethylthiophene-2-carboxamide

C12H17NO3S — CID 91762338

IUPACN-[(3S,4R)-3-hydroxyoxan-4-yl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCOC[C@H]2O)sc1C
InChIInChI=1S/C12H17NO3S/c1-7-5-11(17-8(7)2)12(15)13-9-3-4-16-6-10(9)14/h5,9-10,14H,3-4,6H2,1-2H3,(H,13,15)/t9-,10-/m1/s1
InChIKeyUBMJBCWTDZUDIP-NXEZZACHSA-N
MW255.34 g/mol
LogP1.24
Rot. Bonds2

About N-[(3S,4R)-3-hydroxyoxan-4-yl]-4,5-dimethylthiophene-2-carboxamide

N-[(3S,4R)-3-hydroxyoxan-4-yl]-4,5-dimethylthiophene-2-carboxamide (PubChem CID 91762338) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[(3S,4R)-3-hydroxyoxan-4-yl]-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-4,5-dimethylthiophene-2-carboxamide
PubChem CID91762338
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCOC[C@H]2O)sc1C
InChIInChI=1S/C12H17NO3S/c1-7-5-11(17-8(7)2)12(15)13-9-3-4-16-6-10(9)14/h5,9-10,14H,3-4,6H2,1-2H3,(H,13,15)/t9-,10-/m1/s1
InChIKeyUBMJBCWTDZUDIP-NXEZZACHSA-N
XLogP1.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3S,4R)-3-hydroxyoxan-4-yl]-4,5-dimethylthiophene-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 N-[(3S,4R)-3-hydroxyoxan-4-yl]-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-4,5-dimethylthiophene-2-carboxamide (CID 91762338) is N-[(3S,4R)-3-hydroxyoxan-4-yl]-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-hydroxyoxan-4-yl]-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-hydroxyoxan-4-yl]-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2O)sc1C.
What is the InChIKey of N-[(3S,4R)-3-hydroxyoxan-4-yl]-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is UBMJBCWTDZUDIP-NXEZZACHSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-7-5-11(17-8(7)2)12(15)13-9-3-4-16-6-10(9)14/h5,9-10,14H,3-4,6H2,1-2H3,(H,13,15)/t9-,10-/m1/s1.
What are the key properties of N-[(3S,4R)-3-hydroxyoxan-4-yl]-4,5-dimethylthiophene-2-carboxamide?
N-[(3S,4R)-3-hydroxyoxan-4-yl]-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-hydroxyoxan-4-yl]-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 91762338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).