N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloro-5-methylsulfanylbenzamide

C16H15ClN2O3S — CID 1301144

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloro-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2ccc(OCC(N)=O)cc2)c1
InChIInChI=1S/C16H15ClN2O3S/c1-23-12-6-7-14(17)13(8-12)16(21)19-10-2-4-11(5-3-10)22-9-15(18)20/h2-8H,9H2,1H3,(H2,18,20)(H,19,21)
InChIKeyKJPHSSBJXYVNEO-UHFFFAOYSA-N
MW350.83 g/mol
LogP3.18
Rot. Bonds6

About N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloro-5-methylsulfanylbenzamide

N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloro-5-methylsulfanylbenzamide (PubChem CID 1301144) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloro-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloro-5-methylsulfanylbenzamide
PubChem CID1301144
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloro-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2ccc(OCC(N)=O)cc2)c1
InChIInChI=1S/C16H15ClN2O3S/c1-23-12-6-7-14(17)13(8-12)16(21)19-10-2-4-11(5-3-10)22-9-15(18)20/h2-8H,9H2,1H3,(H2,18,20)(H,19,21)
InChIKeyKJPHSSBJXYVNEO-UHFFFAOYSA-N
XLogP3.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloro-5-methylsulfanylbenzamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloro-5-methylsulfanylbenzamide (CID 1301144) is N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloro-5-methylsulfanylbenzamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloro-5-methylsulfanylbenzamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloro-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)Nc2ccc(OCC(N)=O)cc2)c1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloro-5-methylsulfanylbenzamide?
The InChIKey is KJPHSSBJXYVNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c1-23-12-6-7-14(17)13(8-12)16(21)19-10-2-4-11(5-3-10)22-9-15(18)20/h2-8H,9H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloro-5-methylsulfanylbenzamide?
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloro-5-methylsulfanylbenzamide has a molecular weight of 350.83 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloro-5-methylsulfanylbenzamide is sourced from PubChem (CID 1301144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).