N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-4-phenyloxane-4-carboxamide

C22H23NO3S — CID 126850412

IUPACN-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-4-phenyloxane-4-carboxamide
SMILESO=C(NCC(c1ccco1)c1cccs1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H23NO3S/c24-21(22(10-13-25-14-11-22)17-6-2-1-3-7-17)23-16-18(19-8-4-12-26-19)20-9-5-15-27-20/h1-9,12,15,18H,10-11,13-14,16H2,(H,23,24)
InChIKeyOTMPBLIVVMHUHT-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.34
Rot. Bonds6

About N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-4-phenyloxane-4-carboxamide

N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-4-phenyloxane-4-carboxamide (PubChem CID 126850412) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-4-phenyloxane-4-carboxamide
PubChem CID126850412
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC NameN-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-4-phenyloxane-4-carboxamide
SMILESO=C(NCC(c1ccco1)c1cccs1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H23NO3S/c24-21(22(10-13-25-14-11-22)17-6-2-1-3-7-17)23-16-18(19-8-4-12-26-19)20-9-5-15-27-20/h1-9,12,15,18H,10-11,13-14,16H2,(H,23,24)
InChIKeyOTMPBLIVVMHUHT-UHFFFAOYSA-N
XLogP4.34
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]oxolane-3-carboxamide
CID 126852531
N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-2-methylsulfanylbenzamide
CID 126850403
1-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 2517264
N-[2-(methylamino)propyl]-4-phenyloxane-4-carboxamide;hydrochloride
CID 120832802
N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 126850409
N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 126854746
N-[2-cyclopropyl-2-[(4-phenyloxane-4-carbonyl)amino]ethyl]-4-phenyloxane-4-carboxamide
CID 60615517
2-[[(4-phenyloxane-4-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245095
N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenyloxane-4-carboxamide
CID 90583951
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-phenyloxane-4-carboxamide
CID 121179455
4-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 91625766
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-4-phenyloxane-4-carboxamide (CID 126850412) is N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-4-phenyloxane-4-carboxamide is O=C(NCC(c1ccco1)c1cccs1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-4-phenyloxane-4-carboxamide?
The InChIKey is OTMPBLIVVMHUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3S/c24-21(22(10-13-25-14-11-22)17-6-2-1-3-7-17)23-16-18(19-8-4-12-26-19)20-9-5-15-27-20/h1-9,12,15,18H,10-11,13-14,16H2,(H,23,24).
What are the key properties of N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-4-phenyloxane-4-carboxamide?
N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-4-phenyloxane-4-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 126850412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).