N-[2-(5-methylfuran-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide

C16H19NO3S — CID 72886191

IUPACN-[2-(5-methylfuran-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
SMILESCc1ccc(CCNC(=O)c2ccc(C3CCCO3)s2)o1
InChIInChI=1S/C16H19NO3S/c1-11-4-5-12(20-11)8-9-17-16(18)15-7-6-14(21-15)13-3-2-10-19-13/h4-7,13H,2-3,8-10H2,1H3,(H,17,18)
InChIKeyXKHNXPSIIGBGRP-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.47
Rot. Bonds5

About N-[2-(5-methylfuran-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide

N-[2-(5-methylfuran-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide (PubChem CID 72886191) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
PubChem CID72886191
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[2-(5-methylfuran-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
SMILESCc1ccc(CCNC(=O)c2ccc(C3CCCO3)s2)o1
InChIInChI=1S/C16H19NO3S/c1-11-4-5-12(20-11)8-9-17-16(18)15-7-6-14(21-15)13-3-2-10-19-13/h4-7,13H,2-3,8-10H2,1H3,(H,17,18)
InChIKeyXKHNXPSIIGBGRP-UHFFFAOYSA-N
XLogP3.47
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 56744091
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 74250771
5-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)thiophene-2-carboxamide
CID 72923589
N-[2-[[5-[(2S)-oxolan-2-yl]thiophene-2-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 97141444
N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
CID 97137518
N-[(3,4-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
CID 97141233
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
CID 97153924
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 72902804
N-[2-(5-methylfuran-2-yl)ethyl]-4-piperidin-1-ylbenzamide
CID 91796019
N-(2,3-dihydro-1H-inden-2-yl)-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
CID 97147711
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 77086345
N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide
CID 97126378

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-[2-(5-methylfuran-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide (CID 72886191) is N-[2-(5-methylfuran-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide is Cc1ccc(CCNC(=O)c2ccc(C3CCCO3)s2)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide?
The InChIKey is XKHNXPSIIGBGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-11-4-5-12(20-11)8-9-17-16(18)15-7-6-14(21-15)13-3-2-10-19-13/h4-7,13H,2-3,8-10H2,1H3,(H,17,18).
What are the key properties of N-[2-(5-methylfuran-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide?
N-[2-(5-methylfuran-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 72886191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).