N-butyl-2-phenyl-2-phenylsulfanylacetamide

C18H21NOS — CID 2886275

IUPACN-butyl-2-phenyl-2-phenylsulfanylacetamide
SMILESCCCCNC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-2-3-14-19-18(20)17(15-10-6-4-7-11-15)21-16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3,(H,19,20)
InChIKeyIHEKRBIUYKZUQH-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.44
Rot. Bonds7

About N-butyl-2-phenyl-2-phenylsulfanylacetamide

N-butyl-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 2886275) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-butyl-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-butyl-2-phenyl-2-phenylsulfanylacetamide
PubChem CID2886275
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-butyl-2-phenyl-2-phenylsulfanylacetamide
SMILESCCCCNC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-2-3-14-19-18(20)17(15-10-6-4-7-11-15)21-16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3,(H,19,20)
InChIKeyIHEKRBIUYKZUQH-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-butyl-2-phenyl-2-phenylsulfanylacetamide (CID 2886275) is N-butyl-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-butyl-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-butyl-2-phenyl-2-phenylsulfanylacetamide is CCCCNC(=O)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of N-butyl-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is IHEKRBIUYKZUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-2-3-14-19-18(20)17(15-10-6-4-7-11-15)21-16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3,(H,19,20).
What are the key properties of N-butyl-2-phenyl-2-phenylsulfanylacetamide?
N-butyl-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 299.44 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 2886275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).