N-butyl-N-ethyl-2-phenylsulfanylacetamide

C14H21NOS — CID 2164695

IUPACN-butyl-N-ethyl-2-phenylsulfanylacetamide
SMILESCCCCN(CC)C(=O)CSc1ccccc1
InChIInChI=1S/C14H21NOS/c1-3-5-11-15(4-2)14(16)12-17-13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3
InChIKeyQISXQGYHBQANEF-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.43
Rot. Bonds7

About N-butyl-N-ethyl-2-phenylsulfanylacetamide

N-butyl-N-ethyl-2-phenylsulfanylacetamide (PubChem CID 2164695) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-phenylsulfanylacetamide
PubChem CID2164695
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC NameN-butyl-N-ethyl-2-phenylsulfanylacetamide
SMILESCCCCN(CC)C(=O)CSc1ccccc1
InChIInChI=1S/C14H21NOS/c1-3-5-11-15(4-2)14(16)12-17-13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3
InChIKeyQISXQGYHBQANEF-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-phenylsulfanylacetamide?
The IUPAC name of N-butyl-N-ethyl-2-phenylsulfanylacetamide (CID 2164695) is N-butyl-N-ethyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-butyl-N-ethyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-butyl-N-ethyl-2-phenylsulfanylacetamide is CCCCN(CC)C(=O)CSc1ccccc1.
What is the InChIKey of N-butyl-N-ethyl-2-phenylsulfanylacetamide?
The InChIKey is QISXQGYHBQANEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-3-5-11-15(4-2)14(16)12-17-13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-2-phenylsulfanylacetamide?
N-butyl-N-ethyl-2-phenylsulfanylacetamide has a molecular weight of 251.40 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 2164695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).