4-chloro-N-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzamide

C15H17ClN2O2S — CID 43786064

IUPAC4-chloro-N-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzamide
SMILESCNC(=O)c1ccc(Cl)c(NCc2ccc(CSC)o2)c1
InChIInChI=1S/C15H17ClN2O2S/c1-17-15(19)10-3-6-13(16)14(7-10)18-8-11-4-5-12(20-11)9-21-2/h3-7,18H,8-9H2,1-2H3,(H,17,19)
InChIKeyQYNCUQATNPZZDY-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.77
Rot. Bonds6

About 4-chloro-N-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzamide

4-chloro-N-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzamide (PubChem CID 43786064) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 4-chloro-N-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzamide
PubChem CID43786064
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name4-chloro-N-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzamide
SMILESCNC(=O)c1ccc(Cl)c(NCc2ccc(CSC)o2)c1
InChIInChI=1S/C15H17ClN2O2S/c1-17-15(19)10-3-6-13(16)14(7-10)18-8-11-4-5-12(20-11)9-21-2/h3-7,18H,8-9H2,1-2H3,(H,17,19)
InChIKeyQYNCUQATNPZZDY-UHFFFAOYSA-N
XLogP3.77
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[(5-ethylfuran-2-yl)methylamino]-N-methylbenzamide
CID 62345627
5-bromo-2-chloro-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 62913568
4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide
CID 43720994
4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzamide
CID 43720922
4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzamide
CID 79419893
3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide
CID 66387552
4-chloro-3-[(2,4-dihydroxyphenyl)methylamino]-N-methylbenzamide
CID 43720990
4-chloro-3-[(3-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
CID 81147765
4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide
CID 63646037
N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 60637044
4-[(5-bromofuran-2-yl)methylamino]-N,3-dimethylbenzamide
CID 43740112
4-chloro-N-methyl-3-[(5-methyloxolan-2-yl)methylamino]benzamide
CID 82834816

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzamide?
The IUPAC name of 4-chloro-N-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzamide (CID 43786064) is 4-chloro-N-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzamide.
What is the SMILES notation for 4-chloro-N-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzamide?
The canonical SMILES for 4-chloro-N-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzamide is CNC(=O)c1ccc(Cl)c(NCc2ccc(CSC)o2)c1.
What is the InChIKey of 4-chloro-N-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzamide?
The InChIKey is QYNCUQATNPZZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-17-15(19)10-3-6-13(16)14(7-10)18-8-11-4-5-12(20-11)9-21-2/h3-7,18H,8-9H2,1-2H3,(H,17,19).
What are the key properties of 4-chloro-N-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzamide?
4-chloro-N-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzamide has a molecular weight of 324.83 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzamide is sourced from PubChem (CID 43786064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).