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N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-thiophen-3-ylacetamide

C15H17NO2S2 — CID 99873671

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC[C@@](O)(c1cccs1)C1CC1
InChIInChI=1S/C15H17NO2S2/c17-14(8-11-5-7-19-9-11)16-10-15(18,12-3-4-12)13-2-1-6-20-13/h1-2,5-7,9,12,18H,3-4,8,10H2,(H,16,17)/t15-/m0/s1
InChIKeyDQNXVOSHHZQMQB-HNNXBMFYSA-N
MW307.44 g/mol
LogP2.77
Rot. Bonds6

About N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-thiophen-3-ylacetamide

N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-thiophen-3-ylacetamide (PubChem CID 99873671) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-thiophen-3-ylacetamide
PubChem CID99873671
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC NameN-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC[C@@](O)(c1cccs1)C1CC1
InChIInChI=1S/C15H17NO2S2/c17-14(8-11-5-7-19-9-11)16-10-15(18,12-3-4-12)13-2-1-6-20-13/h1-2,5-7,9,12,18H,3-4,8,10H2,(H,16,17)/t15-/m0/s1
InChIKeyDQNXVOSHHZQMQB-HNNXBMFYSA-N
XLogP2.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-thiophen-3-ylacetamide (CID 99873671) is N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NC[C@@](O)(c1cccs1)C1CC1.
What is the InChIKey of N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-thiophen-3-ylacetamide?
The InChIKey is DQNXVOSHHZQMQB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c17-14(8-11-5-7-19-9-11)16-10-15(18,12-3-4-12)13-2-1-6-20-13/h1-2,5-7,9,12,18H,3-4,8,10H2,(H,16,17)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-thiophen-3-ylacetamide?
N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-thiophen-3-ylacetamide has a molecular weight of 307.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 99873671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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