N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylsulfanylbenzamide

C16H20N2O2S — CID 4878728

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C16H20N2O2S/c1-18(2)13(14-8-6-10-20-14)11-17-16(19)12-7-4-5-9-15(12)21-3/h4-10,13H,11H2,1-3H3,(H,17,19)
InChIKeyNJKFWJPMPFXJQC-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.03
Rot. Bonds6

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylsulfanylbenzamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylsulfanylbenzamide (PubChem CID 4878728) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylsulfanylbenzamide
PubChem CID4878728
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C16H20N2O2S/c1-18(2)13(14-8-6-10-20-14)11-17-16(19)12-7-4-5-9-15(12)21-3/h4-10,13H,11H2,1-3H3,(H,17,19)
InChIKeyNJKFWJPMPFXJQC-UHFFFAOYSA-N
XLogP3.03
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 26818992
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 80710543
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethylbenzamide
CID 51162753
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 112792249
N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 51162690
2-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzamide
CID 103852810
N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-2-methylsulfanylbenzamide
CID 126850403
N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-2-methylbenzamide
CID 51162698
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide
CID 2456837
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 55332202
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-fluorobenzamide;hydrochloride
CID 52985207

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylsulfanylbenzamide (CID 4878728) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCC(c1ccco1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylsulfanylbenzamide?
The InChIKey is NJKFWJPMPFXJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-18(2)13(14-8-6-10-20-14)11-17-16(19)12-7-4-5-9-15(12)21-3/h4-10,13H,11H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylsulfanylbenzamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylsulfanylbenzamide has a molecular weight of 304.42 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 4878728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).