N,N-diethyl-2-phenyl-2-phenylsulfanylacetamide

C18H21NOS — CID 2889554

IUPACN,N-diethyl-2-phenyl-2-phenylsulfanylacetamide
SMILESCCN(CC)C(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-3-19(4-2)18(20)17(15-11-7-5-8-12-15)21-16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3
InChIKeyGEKIPMNICULUKY-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.39
Rot. Bonds6

About N,N-diethyl-2-phenyl-2-phenylsulfanylacetamide

N,N-diethyl-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 2889554) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N,N-diethyl-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-phenyl-2-phenylsulfanylacetamide
PubChem CID2889554
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN,N-diethyl-2-phenyl-2-phenylsulfanylacetamide
SMILESCCN(CC)C(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-3-19(4-2)18(20)17(15-11-7-5-8-12-15)21-16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3
InChIKeyGEKIPMNICULUKY-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.39
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-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N,N-diethyl-2-phenyl-2-phenylsulfanylacetamide (CID 2889554) is N,N-diethyl-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N,N-diethyl-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N,N-diethyl-2-phenyl-2-phenylsulfanylacetamide is CCN(CC)C(=O)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of N,N-diethyl-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is GEKIPMNICULUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-3-19(4-2)18(20)17(15-11-7-5-8-12-15)21-16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2-phenyl-2-phenylsulfanylacetamide?
N,N-diethyl-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 299.44 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 2889554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).