N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide

C15H17NO2S2 — CID 30943585

IUPACN-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide
SMILESO=C(NCC1(c2cccs2)CCOCC1)c1cccs1
InChIInChI=1S/C15H17NO2S2/c17-14(12-3-1-9-19-12)16-11-15(5-7-18-8-6-15)13-4-2-10-20-13/h1-4,9-10H,5-8,11H2,(H,16,17)
InChIKeyPVIODMJCMXOOFP-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.29
Rot. Bonds4

About N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide

N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 30943585) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide
PubChem CID30943585
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC NameN-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide
SMILESO=C(NCC1(c2cccs2)CCOCC1)c1cccs1
InChIInChI=1S/C15H17NO2S2/c17-14(12-3-1-9-19-12)16-11-15(5-7-18-8-6-15)13-4-2-10-20-13/h1-4,9-10H,5-8,11H2,(H,16,17)
InChIKeyPVIODMJCMXOOFP-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943798
2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943783
2-ethoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943676
2-(difluoromethylsulfonyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 72717858
2-oxo-N-[(4-thiophen-2-yloxan-4-yl)methyl]imidazolidine-1-carboxamide
CID 71806744
3-fluoro-4-methoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 71806743
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 42265711
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 42266039
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 110416723
N-[(4-thiophen-2-yloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 71806746
2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide
CID 30943752
N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine
CID 62594784

Frequently Asked Questions

What is the IUPAC name of N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide (CID 30943585) is N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide is O=C(NCC1(c2cccs2)CCOCC1)c1cccs1.
What is the InChIKey of N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is PVIODMJCMXOOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c17-14(12-3-1-9-19-12)16-11-15(5-7-18-8-6-15)13-4-2-10-20-13/h1-4,9-10H,5-8,11H2,(H,16,17).
What are the key properties of N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide?
N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 30943585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).