[2-[5-[(4,4-difluorocyclohexyl)carbamoyl]thiophen-3-yl]cyclopropyl] carbamate

C15H18F2N2O3S — CID 118437477

IUPAC[2-[5-[(4,4-difluorocyclohexyl)carbamoyl]thiophen-3-yl]cyclopropyl] carbamate
SMILESNC(=O)OC1CC1c1csc(C(=O)NC2CCC(F)(F)CC2)c1
InChIInChI=1S/C15H18F2N2O3S/c16-15(17)3-1-9(2-4-15)19-13(20)12-5-8(7-23-12)10-6-11(10)22-14(18)21/h5,7,9-11H,1-4,6H2,(H2,18,21)(H,19,20)
InChIKeyQDCFVXOGODPXFX-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.01
Rot. Bonds4

About [2-[5-[(4,4-difluorocyclohexyl)carbamoyl]thiophen-3-yl]cyclopropyl] carbamate

[2-[5-[(4,4-difluorocyclohexyl)carbamoyl]thiophen-3-yl]cyclopropyl] carbamate (PubChem CID 118437477) has the molecular formula C15H18F2N2O3S and a molecular weight of 344.38 g/mol. Its IUPAC name is [2-[5-[(4,4-difluorocyclohexyl)carbamoyl]thiophen-3-yl]cyclopropyl] carbamate.

Molecular Properties

Compound Name[2-[5-[(4,4-difluorocyclohexyl)carbamoyl]thiophen-3-yl]cyclopropyl] carbamate
PubChem CID118437477
Molecular FormulaC15H18F2N2O3S
Molecular Weight344.38 g/mol
Exact Mass344.10
IUPAC Name[2-[5-[(4,4-difluorocyclohexyl)carbamoyl]thiophen-3-yl]cyclopropyl] carbamate
SMILESNC(=O)OC1CC1c1csc(C(=O)NC2CCC(F)(F)CC2)c1
InChIInChI=1S/C15H18F2N2O3S/c16-15(17)3-1-9(2-4-15)19-13(20)12-5-8(7-23-12)10-6-11(10)22-14(18)21/h5,7,9-11H,1-4,6H2,(H2,18,21)(H,19,20)
InChIKeyQDCFVXOGODPXFX-UHFFFAOYSA-N
XLogP3.01
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[5-[(4,4-difluorocyclohexyl)carbamoyl]thiophen-3-yl]cyclopropyl] carbamate?
The IUPAC name of [2-[5-[(4,4-difluorocyclohexyl)carbamoyl]thiophen-3-yl]cyclopropyl] carbamate (CID 118437477) is [2-[5-[(4,4-difluorocyclohexyl)carbamoyl]thiophen-3-yl]cyclopropyl] carbamate.
What is the SMILES notation for [2-[5-[(4,4-difluorocyclohexyl)carbamoyl]thiophen-3-yl]cyclopropyl] carbamate?
The canonical SMILES for [2-[5-[(4,4-difluorocyclohexyl)carbamoyl]thiophen-3-yl]cyclopropyl] carbamate is NC(=O)OC1CC1c1csc(C(=O)NC2CCC(F)(F)CC2)c1.
What is the InChIKey of [2-[5-[(4,4-difluorocyclohexyl)carbamoyl]thiophen-3-yl]cyclopropyl] carbamate?
The InChIKey is QDCFVXOGODPXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O3S/c16-15(17)3-1-9(2-4-15)19-13(20)12-5-8(7-23-12)10-6-11(10)22-14(18)21/h5,7,9-11H,1-4,6H2,(H2,18,21)(H,19,20).
What are the key properties of [2-[5-[(4,4-difluorocyclohexyl)carbamoyl]thiophen-3-yl]cyclopropyl] carbamate?
[2-[5-[(4,4-difluorocyclohexyl)carbamoyl]thiophen-3-yl]cyclopropyl] carbamate has a molecular weight of 344.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[(4,4-difluorocyclohexyl)carbamoyl]thiophen-3-yl]cyclopropyl] carbamate is sourced from PubChem (CID 118437477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).