N,N-diethyl-2-phenylsulfanylbenzamide

C17H19NOS — CID 11254656

IUPACN,N-diethyl-2-phenylsulfanylbenzamide
SMILESCCN(CC)C(=O)c1ccccc1Sc1ccccc1
InChIInChI=1S/C17H19NOS/c1-3-18(4-2)17(19)15-12-8-9-13-16(15)20-14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3
InChIKeyDZTRADAEQJMHDX-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.32
Rot. Bonds5

About N,N-diethyl-2-phenylsulfanylbenzamide

N,N-diethyl-2-phenylsulfanylbenzamide (PubChem CID 11254656) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N,N-diethyl-2-phenylsulfanylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-2-phenylsulfanylbenzamide
PubChem CID11254656
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN,N-diethyl-2-phenylsulfanylbenzamide
SMILESCCN(CC)C(=O)c1ccccc1Sc1ccccc1
InChIInChI=1S/C17H19NOS/c1-3-18(4-2)17(19)15-12-8-9-13-16(15)20-14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3
InChIKeyDZTRADAEQJMHDX-UHFFFAOYSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-phenylsulfanylbenzamide?
The IUPAC name of N,N-diethyl-2-phenylsulfanylbenzamide (CID 11254656) is N,N-diethyl-2-phenylsulfanylbenzamide.
What is the SMILES notation for N,N-diethyl-2-phenylsulfanylbenzamide?
The canonical SMILES for N,N-diethyl-2-phenylsulfanylbenzamide is CCN(CC)C(=O)c1ccccc1Sc1ccccc1.
What is the InChIKey of N,N-diethyl-2-phenylsulfanylbenzamide?
The InChIKey is DZTRADAEQJMHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-3-18(4-2)17(19)15-12-8-9-13-16(15)20-14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2-phenylsulfanylbenzamide?
N,N-diethyl-2-phenylsulfanylbenzamide has a molecular weight of 285.41 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-phenylsulfanylbenzamide is sourced from PubChem (CID 11254656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).