N-[2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C16H19NO3S — CID 71798319

IUPACN-[2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCC(O)c1ccoc1)C1(c2cccs2)CCCC1
InChIInChI=1S/C16H19NO3S/c18-13(12-5-8-20-11-12)10-17-15(19)16(6-1-2-7-16)14-4-3-9-21-14/h3-5,8-9,11,13,18H,1-2,6-7,10H2,(H,17,19)
InChIKeyKVVAVXVHSRLIBN-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.00
Rot. Bonds5

About N-[2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 71798319) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID71798319
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCC(O)c1ccoc1)C1(c2cccs2)CCCC1
InChIInChI=1S/C16H19NO3S/c18-13(12-5-8-20-11-12)10-17-15(19)16(6-1-2-7-16)14-4-3-9-21-14/h3-5,8-9,11,13,18H,1-2,6-7,10H2,(H,17,19)
InChIKeyKVVAVXVHSRLIBN-UHFFFAOYSA-N
XLogP3.00
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-(Furan-3-yl)-2-hydroxyethyl)-3-(thiophen-2-ylmethyl)urea
CID 71798413
N-[(4-hydroxy-1-thiophen-2-ylcyclohexyl)methyl]furan-3-carboxamide
CID 177638475
N-(furan-2-ylmethyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 42435495
2-((4-fluorophenyl)thio)-N-(2-(furan-3-yl)-2-hydroxyethyl)acetamide
CID 71798310
N-[(R)-2-(3-furyl)-2-hydroxyethyl](p-fluorophenylthio)acetamide
CID 95986627
2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide
CID 95986628
2-(4-fluorophenyl)-N-(2-(furan-3-yl)-2-hydroxy-2-(thiophen-2-yl)ethyl)acetamide
CID 119101180
2,6-difluoro-N-[2-(furan-3-yl)-2-hydroxy-2-(thiophen-2-yl)ethyl]benzamide
CID 119101183
N-(2-(furan-3-yl)-2-hydroxy-2-(thiophen-2-yl)ethyl)-2-(trifluoromethyl)benzamide
CID 119101191
3,4-difluoro-N-(2-(furan-3-yl)-2-hydroxy-2-(thiophen-2-yl)ethyl)benzamide
CID 121018450
2,6-difluoro-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 124727297
2,6-difluoro-N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 124727298

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 71798319) is N-[2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(NCC(O)c1ccoc1)C1(c2cccs2)CCCC1.
What is the InChIKey of N-[2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is KVVAVXVHSRLIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c18-13(12-5-8-20-11-12)10-17-15(19)16(6-1-2-7-16)14-4-3-9-21-14/h3-5,8-9,11,13,18H,1-2,6-7,10H2,(H,17,19).
What are the key properties of N-[2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 71798319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).