N-[1-(1-benzofuran-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide

C18H18ClNO2S2 — CID 46551149

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)CSCc1ccc(Cl)s1
InChIInChI=1S/C18H18ClNO2S2/c1-12(16-9-13-5-3-4-6-15(13)22-16)20(2)18(21)11-23-10-14-7-8-17(19)24-14/h3-9,12H,10-11H2,1-2H3
InChIKeySBAYCGVYZWIWIX-UHFFFAOYSA-N
MW379.93 g/mol
LogP5.60
Rot. Bonds6

About N-[1-(1-benzofuran-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide

N-[1-(1-benzofuran-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide (PubChem CID 46551149) has the molecular formula C18H18ClNO2S2 and a molecular weight of 379.93 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide
PubChem CID46551149
Molecular FormulaC18H18ClNO2S2
Molecular Weight379.93 g/mol
Exact Mass379.05
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)CSCc1ccc(Cl)s1
InChIInChI=1S/C18H18ClNO2S2/c1-12(16-9-13-5-3-4-6-15(13)22-16)20(2)18(21)11-23-10-14-7-8-17(19)24-14/h3-9,12H,10-11H2,1-2H3
InChIKeySBAYCGVYZWIWIX-UHFFFAOYSA-N
XLogP5.60
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.93
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-methylacetamide
CID 46421732
2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]propanoic acid
CID 62626392
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide
CID 55204447
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
CID 111336371
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(dimethylsulfamoyl)-N-methylpropanamide
CID 97251479
2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]-N-propan-2-ylacetamide
CID 9475930
N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 46551191
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 51983080
2-[[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 60503344
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 39976211
2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]-2-methylpropanoic acid
CID 62818490

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide (CID 46551149) is N-[1-(1-benzofuran-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide is CC(c1cc2ccccc2o1)N(C)C(=O)CSCc1ccc(Cl)s1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide?
The InChIKey is SBAYCGVYZWIWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2S2/c1-12(16-9-13-5-3-4-6-15(13)22-16)20(2)18(21)11-23-10-14-7-8-17(19)24-14/h3-9,12H,10-11H2,1-2H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide has a molecular weight of 379.93 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide is sourced from PubChem (CID 46551149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).