1-(5-chlorothiophen-2-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-1-one

C14H16ClNO2S — CID 62051006

IUPAC1-(5-chlorothiophen-2-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-1-one
SMILESCc1ccc(CN(C)C(C)C(=O)c2ccc(Cl)s2)o1
InChIInChI=1S/C14H16ClNO2S/c1-9-4-5-11(18-9)8-16(3)10(2)14(17)12-6-7-13(15)19-12/h4-7,10H,8H2,1-3H3
InChIKeyAGXBJULGYYJVGC-UHFFFAOYSA-N
MW297.81 g/mol
LogP4.01
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-1-one

1-(5-chlorothiophen-2-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-1-one (PubChem CID 62051006) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-1-one
PubChem CID62051006
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-1-one
SMILESCc1ccc(CN(C)C(C)C(=O)c2ccc(Cl)s2)o1
InChIInChI=1S/C14H16ClNO2S/c1-9-4-5-11(18-9)8-16(3)10(2)14(17)12-6-7-13(15)19-12/h4-7,10H,8H2,1-3H3
InChIKeyAGXBJULGYYJVGC-UHFFFAOYSA-N
XLogP4.01
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]propan-1-one
CID 62050574
1-(5-chlorothiophen-2-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]propan-1-one
CID 79485799
2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 62051390
3-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]-N-methylpropanamide
CID 106916452
3-[[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]methyl]benzonitrile
CID 62981876
2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide
CID 56809035
1-(5-chlorothiophen-2-yl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one
CID 62036547
N-(3-chlorophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 17436769
2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 43795957
(2R)-N-[(4-fluorophenyl)methyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 41380466
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-ethylamino]-N-methylacetamide
CID 62051078

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-1-one (CID 62051006) is 1-(5-chlorothiophen-2-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-1-one is Cc1ccc(CN(C)C(C)C(=O)c2ccc(Cl)s2)o1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-1-one?
The InChIKey is AGXBJULGYYJVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S/c1-9-4-5-11(18-9)8-16(3)10(2)14(17)12-6-7-13(15)19-12/h4-7,10H,8H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-1-one?
1-(5-chlorothiophen-2-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-1-one has a molecular weight of 297.81 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-1-one is sourced from PubChem (CID 62051006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).