N-(2-phenylsulfanylpropyl)-4H-furo[3,2-b]pyrrole-5-carboxamide

C16H16N2O2S — CID 75431276

IUPACN-(2-phenylsulfanylpropyl)-4H-furo[3,2-b]pyrrole-5-carboxamide
SMILESCC(CNC(=O)c1cc2occc2[nH]1)Sc1ccccc1
InChIInChI=1S/C16H16N2O2S/c1-11(21-12-5-3-2-4-6-12)10-17-16(19)14-9-15-13(18-14)7-8-20-15/h2-9,11,18H,10H2,1H3,(H,17,19)
InChIKeyYTAQPJPPUXSLQE-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.67
Rot. Bonds5

About N-(2-phenylsulfanylpropyl)-4H-furo[3,2-b]pyrrole-5-carboxamide

N-(2-phenylsulfanylpropyl)-4H-furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 75431276) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(2-phenylsulfanylpropyl)-4H-furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylpropyl)-4H-furo[3,2-b]pyrrole-5-carboxamide
PubChem CID75431276
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(2-phenylsulfanylpropyl)-4H-furo[3,2-b]pyrrole-5-carboxamide
SMILESCC(CNC(=O)c1cc2occc2[nH]1)Sc1ccccc1
InChIInChI=1S/C16H16N2O2S/c1-11(21-12-5-3-2-4-6-12)10-17-16(19)14-9-15-13(18-14)7-8-20-15/h2-9,11,18H,10H2,1H3,(H,17,19)
InChIKeyYTAQPJPPUXSLQE-UHFFFAOYSA-N
XLogP3.67
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylpropyl)-4H-furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-(2-phenylsulfanylpropyl)-4H-furo[3,2-b]pyrrole-5-carboxamide (CID 75431276) is N-(2-phenylsulfanylpropyl)-4H-furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(2-phenylsulfanylpropyl)-4H-furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(2-phenylsulfanylpropyl)-4H-furo[3,2-b]pyrrole-5-carboxamide is CC(CNC(=O)c1cc2occc2[nH]1)Sc1ccccc1.
What is the InChIKey of N-(2-phenylsulfanylpropyl)-4H-furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is YTAQPJPPUXSLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11(21-12-5-3-2-4-6-12)10-17-16(19)14-9-15-13(18-14)7-8-20-15/h2-9,11,18H,10H2,1H3,(H,17,19).
What are the key properties of N-(2-phenylsulfanylpropyl)-4H-furo[3,2-b]pyrrole-5-carboxamide?
N-(2-phenylsulfanylpropyl)-4H-furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylpropyl)-4H-furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 75431276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).