N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-phenylsulfanylpropanamide

C20H23ClN2O2S — CID 24818026

IUPACN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-phenylsulfanylpropanamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)C(C)Sc1ccccc1
InChIInChI=1S/C20H23ClN2O2S/c1-3-23(20(25)15(2)26-18-7-5-4-6-8-18)14-19(24)22-13-16-9-11-17(21)12-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,22,24)
InChIKeyYNKYEEGRJOPNIZ-UHFFFAOYSA-N
MW390.94 g/mol
LogP3.99
Rot. Bonds8

About N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-phenylsulfanylpropanamide

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-phenylsulfanylpropanamide (PubChem CID 24818026) has the molecular formula C20H23ClN2O2S and a molecular weight of 390.94 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-phenylsulfanylpropanamide
PubChem CID24818026
Molecular FormulaC20H23ClN2O2S
Molecular Weight390.94 g/mol
Exact Mass390.12
IUPAC NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-phenylsulfanylpropanamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)C(C)Sc1ccccc1
InChIInChI=1S/C20H23ClN2O2S/c1-3-23(20(25)15(2)26-18-7-5-4-6-8-18)14-19(24)22-13-16-9-11-17(21)12-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,22,24)
InChIKeyYNKYEEGRJOPNIZ-UHFFFAOYSA-N
XLogP3.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-phenylsulfanylpropanamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-phenylsulfanylpropanamide (CID 24818026) is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-phenylsulfanylpropanamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-phenylsulfanylpropanamide is CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)C(C)Sc1ccccc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-phenylsulfanylpropanamide?
The InChIKey is YNKYEEGRJOPNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2S/c1-3-23(20(25)15(2)26-18-7-5-4-6-8-18)14-19(24)22-13-16-9-11-17(21)12-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-phenylsulfanylpropanamide?
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-phenylsulfanylpropanamide has a molecular weight of 390.94 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-phenylsulfanylpropanamide is sourced from PubChem (CID 24818026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).