2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]propanamide

C12H13ClN2O2S — CID 43777111

IUPAC2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]propanamide
SMILESCC(NC(c1ccco1)c1ccc(Cl)s1)C(N)=O
InChIInChI=1S/C12H13ClN2O2S/c1-7(12(14)16)15-11(8-3-2-6-17-8)9-4-5-10(13)18-9/h2-7,11,15H,1H3,(H2,14,16)
InChIKeyRIGLUDLUAAPLRP-UHFFFAOYSA-N
MW284.77 g/mol
LogP2.55
Rot. Bonds5

About 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]propanamide

2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]propanamide (PubChem CID 43777111) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]propanamide.

Molecular Properties

Compound Name2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]propanamide
PubChem CID43777111
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC Name2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]propanamide
SMILESCC(NC(c1ccco1)c1ccc(Cl)s1)C(N)=O
InChIInChI=1S/C12H13ClN2O2S/c1-7(12(14)16)15-11(8-3-2-6-17-8)9-4-5-10(13)18-9/h2-7,11,15H,1H3,(H2,14,16)
InChIKeyRIGLUDLUAAPLRP-UHFFFAOYSA-N
XLogP2.55
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-propan-2-ylacetamide
CID 43777895
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]but-3-yn-2-amine
CID 114415106
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]heptan-2-amine
CID 43778058
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine
CID 62694537
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]hexan-3-amine
CID 62117806
N'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine
CID 60895734
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]pent-1-yn-3-amine
CID 114160682
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104759481
3-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2,2-dimethylpropan-1-ol
CID 115359136
1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine
CID 106009564
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine
CID 115566785
2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2-ethylpropane-1,3-diol
CID 107865040

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]propanamide?
The IUPAC name of 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]propanamide (CID 43777111) is 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]propanamide.
What is the SMILES notation for 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]propanamide?
The canonical SMILES for 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]propanamide is CC(NC(c1ccco1)c1ccc(Cl)s1)C(N)=O.
What is the InChIKey of 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]propanamide?
The InChIKey is RIGLUDLUAAPLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c1-7(12(14)16)15-11(8-3-2-6-17-8)9-4-5-10(13)18-9/h2-7,11,15H,1H3,(H2,14,16).
What are the key properties of 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]propanamide?
2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]propanamide has a molecular weight of 284.77 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]propanamide is sourced from PubChem (CID 43777111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).