N-(furan-2-ylmethyl)-3-(pyrimidin-2-ylamino)-N-(thiophen-2-ylmethyl)benzamide

C21H18N4O2S — CID 31836707

IUPACN-(furan-2-ylmethyl)-3-(pyrimidin-2-ylamino)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1cccc(Nc2ncccn2)c1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C21H18N4O2S/c26-20(16-5-1-6-17(13-16)24-21-22-9-4-10-23-21)25(14-18-7-2-11-27-18)15-19-8-3-12-28-19/h1-13H,14-15H2,(H,22,23,24)
InChIKeyUSVRTUBPUGEKNX-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.72
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-(pyrimidin-2-ylamino)-N-(thiophen-2-ylmethyl)benzamide

N-(furan-2-ylmethyl)-3-(pyrimidin-2-ylamino)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 31836707) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(pyrimidin-2-ylamino)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(pyrimidin-2-ylamino)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID31836707
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-(furan-2-ylmethyl)-3-(pyrimidin-2-ylamino)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1cccc(Nc2ncccn2)c1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C21H18N4O2S/c26-20(16-5-1-6-17(13-16)24-21-22-9-4-10-23-21)25(14-18-7-2-11-27-18)15-19-8-3-12-28-19/h1-13H,14-15H2,(H,22,23,24)
InChIKeyUSVRTUBPUGEKNX-UHFFFAOYSA-N
XLogP4.72
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 31836048
3-ethoxy-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 35526706
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 18121711
3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 24529398
3-acetamido-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 17409595
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 31833854
N-(furan-2-ylmethyl)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90495633
6-(cyclopropylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 60563513
3-[(2-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 31833131
N-[2-chloro-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 27833022
3-(2,2-dimethylpropanoylamino)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31841528
2,2,2-trifluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 63374843

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(pyrimidin-2-ylamino)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(pyrimidin-2-ylamino)-N-(thiophen-2-ylmethyl)benzamide (CID 31836707) is N-(furan-2-ylmethyl)-3-(pyrimidin-2-ylamino)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(pyrimidin-2-ylamino)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(pyrimidin-2-ylamino)-N-(thiophen-2-ylmethyl)benzamide is O=C(c1cccc(Nc2ncccn2)c1)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(pyrimidin-2-ylamino)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is USVRTUBPUGEKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c26-20(16-5-1-6-17(13-16)24-21-22-9-4-10-23-21)25(14-18-7-2-11-27-18)15-19-8-3-12-28-19/h1-13H,14-15H2,(H,22,23,24).
What are the key properties of N-(furan-2-ylmethyl)-3-(pyrimidin-2-ylamino)-N-(thiophen-2-ylmethyl)benzamide?
N-(furan-2-ylmethyl)-3-(pyrimidin-2-ylamino)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 390.47 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(pyrimidin-2-ylamino)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 31836707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).