N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-2-methylsulfanylbenzamide

C18H17NO2S2 — CID 126850403

IUPACN-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCC(c1ccco1)c1cccs1
InChIInChI=1S/C18H17NO2S2/c1-22-16-8-3-2-6-13(16)18(20)19-12-14(15-7-4-10-21-15)17-9-5-11-23-17/h2-11,14H,12H2,1H3,(H,19,20)
InChIKeyAXMYXSLQGDDAIB-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.62
Rot. Bonds6

About N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-2-methylsulfanylbenzamide

N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-2-methylsulfanylbenzamide (PubChem CID 126850403) has the molecular formula C18H17NO2S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-2-methylsulfanylbenzamide
PubChem CID126850403
Molecular FormulaC18H17NO2S2
Molecular Weight343.47 g/mol
Exact Mass343.07
IUPAC NameN-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCC(c1ccco1)c1cccs1
InChIInChI=1S/C18H17NO2S2/c1-22-16-8-3-2-6-13(16)18(20)19-12-14(15-7-4-10-21-15)17-9-5-11-23-17/h2-11,14H,12H2,1H3,(H,19,20)
InChIKeyAXMYXSLQGDDAIB-UHFFFAOYSA-N
XLogP4.62
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylsulfanylbenzamide
CID 4878728
N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 126850409
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide
CID 2456837
N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 126854746
4-(dimethylsulfamoyl)-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]benzamide
CID 126850416
N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-4-phenyloxane-4-carboxamide
CID 126850412
2-methylsulfanyl-N-(1-thiophen-2-ylethyl)benzamide
CID 112766143
3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-1-methylpyrazole-5-carboxamide
CID 126854749
N-(2-aminopropyl)-2-methylsulfanylbenzamide
CID 79218118
N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 126852085
N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]oxolane-3-carboxamide
CID 126852531
N-(2-amino-2-phenylethyl)-2-methylsulfanylbenzamide
CID 79217268

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-2-methylsulfanylbenzamide (CID 126850403) is N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCC(c1ccco1)c1cccs1.
What is the InChIKey of N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-2-methylsulfanylbenzamide?
The InChIKey is AXMYXSLQGDDAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S2/c1-22-16-8-3-2-6-13(16)18(20)19-12-14(15-7-4-10-21-15)17-9-5-11-23-17/h2-11,14H,12H2,1H3,(H,19,20).
What are the key properties of N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-2-methylsulfanylbenzamide?
N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-2-methylsulfanylbenzamide has a molecular weight of 343.47 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 126850403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).