N-[3-[[2-(oxolan-3-yl)acetyl]amino]oxetan-3-yl]thiophene-2-carboxamide

C14H18N2O4S — CID 161136369

IUPACN-[3-[[2-(oxolan-3-yl)acetyl]amino]oxetan-3-yl]thiophene-2-carboxamide
SMILESO=C(CC1CCOC1)NC1(NC(=O)c2cccs2)COC1
InChIInChI=1S/C14H18N2O4S/c17-12(6-10-3-4-19-7-10)15-14(8-20-9-14)16-13(18)11-2-1-5-21-11/h1-2,5,10H,3-4,6-9H2,(H,15,17)(H,16,18)
InChIKeyUMVURECSQLWXJH-UHFFFAOYSA-N
MW310.37 g/mol
LogP0.75
Rot. Bonds5

About N-[3-[[2-(oxolan-3-yl)acetyl]amino]oxetan-3-yl]thiophene-2-carboxamide

N-[3-[[2-(oxolan-3-yl)acetyl]amino]oxetan-3-yl]thiophene-2-carboxamide (PubChem CID 161136369) has the molecular formula C14H18N2O4S and a molecular weight of 310.37 g/mol. Its IUPAC name is N-[3-[[2-(oxolan-3-yl)acetyl]amino]oxetan-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(oxolan-3-yl)acetyl]amino]oxetan-3-yl]thiophene-2-carboxamide
PubChem CID161136369
Molecular FormulaC14H18N2O4S
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC NameN-[3-[[2-(oxolan-3-yl)acetyl]amino]oxetan-3-yl]thiophene-2-carboxamide
SMILESO=C(CC1CCOC1)NC1(NC(=O)c2cccs2)COC1
InChIInChI=1S/C14H18N2O4S/c17-12(6-10-3-4-19-7-10)15-14(8-20-9-14)16-13(18)11-2-1-5-21-11/h1-2,5,10H,3-4,6-9H2,(H,15,17)(H,16,18)
InChIKeyUMVURECSQLWXJH-UHFFFAOYSA-N
XLogP0.75
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(oxolan-3-yl)acetyl]amino]oxetan-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[2-(oxolan-3-yl)acetyl]amino]oxetan-3-yl]thiophene-2-carboxamide (CID 161136369) is N-[3-[[2-(oxolan-3-yl)acetyl]amino]oxetan-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(oxolan-3-yl)acetyl]amino]oxetan-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[2-(oxolan-3-yl)acetyl]amino]oxetan-3-yl]thiophene-2-carboxamide is O=C(CC1CCOC1)NC1(NC(=O)c2cccs2)COC1.
What is the InChIKey of N-[3-[[2-(oxolan-3-yl)acetyl]amino]oxetan-3-yl]thiophene-2-carboxamide?
The InChIKey is UMVURECSQLWXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c17-12(6-10-3-4-19-7-10)15-14(8-20-9-14)16-13(18)11-2-1-5-21-11/h1-2,5,10H,3-4,6-9H2,(H,15,17)(H,16,18).
What are the key properties of N-[3-[[2-(oxolan-3-yl)acetyl]amino]oxetan-3-yl]thiophene-2-carboxamide?
N-[3-[[2-(oxolan-3-yl)acetyl]amino]oxetan-3-yl]thiophene-2-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(oxolan-3-yl)acetyl]amino]oxetan-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 161136369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).