2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-propan-2-ylacetamide

C14H17ClN2O2S — CID 43777895

IUPAC2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(c1ccco1)c1ccc(Cl)s1
InChIInChI=1S/C14H17ClN2O2S/c1-9(2)17-13(18)8-16-14(10-4-3-7-19-10)11-5-6-12(15)20-11/h3-7,9,14,16H,8H2,1-2H3,(H,17,18)
InChIKeyPVDGLDCUIOHSHX-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.20
Rot. Bonds6

About 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-propan-2-ylacetamide

2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-propan-2-ylacetamide (PubChem CID 43777895) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-propan-2-ylacetamide
PubChem CID43777895
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(c1ccco1)c1ccc(Cl)s1
InChIInChI=1S/C14H17ClN2O2S/c1-9(2)17-13(18)8-16-14(10-4-3-7-19-10)11-5-6-12(15)20-11/h3-7,9,14,16H,8H2,1-2H3,(H,17,18)
InChIKeyPVDGLDCUIOHSHX-UHFFFAOYSA-N
XLogP3.20
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]propanamide
CID 43777111
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine
CID 62694537
3-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2,2-dimethylpropan-1-ol
CID 115359136
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine
CID 115566785
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]propane-1,3-diamine
CID 60895734
2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2-ethylpropane-1,3-diol
CID 107865040
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]heptan-2-amine
CID 43778058
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104759481
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106007751
2-[1-(furan-2-yl)propylamino]-N-propan-2-ylacetamide
CID 62633589
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-cyclopentylethanamine
CID 63450559

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-propan-2-ylacetamide (CID 43777895) is 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC(c1ccco1)c1ccc(Cl)s1.
What is the InChIKey of 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-propan-2-ylacetamide?
The InChIKey is PVDGLDCUIOHSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c1-9(2)17-13(18)8-16-14(10-4-3-7-19-10)11-5-6-12(15)20-11/h3-7,9,14,16H,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-propan-2-ylacetamide?
2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-propan-2-ylacetamide has a molecular weight of 312.82 g/mol, XLogP of 3.20, 6 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]-N-propan-2-ylacetamide is sourced from PubChem (CID 43777895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).