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

C16H19NO3S — CID 95986644

IUPACN-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NC[C@@H](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)/t13-/m1/s1
InChIKeyKVVAVXVHSRLIBN-CYBMUJFWSA-N
MW305.40 g/mol
LogP3.00
Rot. Bonds5

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

N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 95986644) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID95986644
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NC[C@@H](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)/t13-/m1/s1
InChIKeyKVVAVXVHSRLIBN-CYBMUJFWSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 95986644) is N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(NC[C@@H](O)c1ccoc1)C1(c2cccs2)CCCC1.
What is the InChIKey of N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is KVVAVXVHSRLIBN-CYBMUJFWSA-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)/t13-/m1/s1.
What are the key properties of N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[(2S)-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-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 95986644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).