3-(4-chlorothiophen-2-yl)-N-[(2R)-oxan-2-yl]oxypropanamide

C12H16ClNO3S — CID 95338007

IUPAC3-(4-chlorothiophen-2-yl)-N-[(2R)-oxan-2-yl]oxypropanamide
SMILESO=C(CCc1cc(Cl)cs1)NO[C@@H]1CCCCO1
InChIInChI=1S/C12H16ClNO3S/c13-9-7-10(18-8-9)4-5-11(15)14-17-12-3-1-2-6-16-12/h7-8,12H,1-6H2,(H,14,15)/t12-/m1/s1
InChIKeyGWYNASKUDPCKPN-GFCCVEGCSA-N
MW289.78 g/mol
LogP2.91
Rot. Bonds5

About 3-(4-chlorothiophen-2-yl)-N-[(2R)-oxan-2-yl]oxypropanamide

3-(4-chlorothiophen-2-yl)-N-[(2R)-oxan-2-yl]oxypropanamide (PubChem CID 95338007) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 3-(4-chlorothiophen-2-yl)-N-[(2R)-oxan-2-yl]oxypropanamide.

Molecular Properties

Compound Name3-(4-chlorothiophen-2-yl)-N-[(2R)-oxan-2-yl]oxypropanamide
PubChem CID95338007
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name3-(4-chlorothiophen-2-yl)-N-[(2R)-oxan-2-yl]oxypropanamide
SMILESO=C(CCc1cc(Cl)cs1)NO[C@@H]1CCCCO1
InChIInChI=1S/C12H16ClNO3S/c13-9-7-10(18-8-9)4-5-11(15)14-17-12-3-1-2-6-16-12/h7-8,12H,1-6H2,(H,14,15)/t12-/m1/s1
InChIKeyGWYNASKUDPCKPN-GFCCVEGCSA-N
XLogP2.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorothiophen-2-yl)-N-[(2R)-oxan-2-yl]oxypropanamide?
The IUPAC name of 3-(4-chlorothiophen-2-yl)-N-[(2R)-oxan-2-yl]oxypropanamide (CID 95338007) is 3-(4-chlorothiophen-2-yl)-N-[(2R)-oxan-2-yl]oxypropanamide.
What is the SMILES notation for 3-(4-chlorothiophen-2-yl)-N-[(2R)-oxan-2-yl]oxypropanamide?
The canonical SMILES for 3-(4-chlorothiophen-2-yl)-N-[(2R)-oxan-2-yl]oxypropanamide is O=C(CCc1cc(Cl)cs1)NO[C@@H]1CCCCO1.
What is the InChIKey of 3-(4-chlorothiophen-2-yl)-N-[(2R)-oxan-2-yl]oxypropanamide?
The InChIKey is GWYNASKUDPCKPN-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c13-9-7-10(18-8-9)4-5-11(15)14-17-12-3-1-2-6-16-12/h7-8,12H,1-6H2,(H,14,15)/t12-/m1/s1.
What are the key properties of 3-(4-chlorothiophen-2-yl)-N-[(2R)-oxan-2-yl]oxypropanamide?
3-(4-chlorothiophen-2-yl)-N-[(2R)-oxan-2-yl]oxypropanamide has a molecular weight of 289.78 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorothiophen-2-yl)-N-[(2R)-oxan-2-yl]oxypropanamide is sourced from PubChem (CID 95338007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).