N-butyl-N-phenyl-2-(4-sulfanylphenyl)acetamide

C18H21NOS — CID 107030902

IUPACN-butyl-N-phenyl-2-(4-sulfanylphenyl)acetamide
SMILESCCCCN(C(=O)Cc1ccc(S)cc1)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-2-3-13-19(16-7-5-4-6-8-16)18(20)14-15-9-11-17(21)12-10-15/h4-12,21H,2-3,13-14H2,1H3
InChIKeyIZWRSMFJGCZSEA-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.35
Rot. Bonds6

About N-butyl-N-phenyl-2-(4-sulfanylphenyl)acetamide

N-butyl-N-phenyl-2-(4-sulfanylphenyl)acetamide (PubChem CID 107030902) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-butyl-N-phenyl-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-butyl-N-phenyl-2-(4-sulfanylphenyl)acetamide
PubChem CID107030902
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-butyl-N-phenyl-2-(4-sulfanylphenyl)acetamide
SMILESCCCCN(C(=O)Cc1ccc(S)cc1)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-2-3-13-19(16-7-5-4-6-8-16)18(20)14-15-9-11-17(21)12-10-15/h4-12,21H,2-3,13-14H2,1H3
InChIKeyIZWRSMFJGCZSEA-UHFFFAOYSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-phenyl-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-butyl-N-phenyl-2-(4-sulfanylphenyl)acetamide (CID 107030902) is N-butyl-N-phenyl-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-butyl-N-phenyl-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-butyl-N-phenyl-2-(4-sulfanylphenyl)acetamide is CCCCN(C(=O)Cc1ccc(S)cc1)c1ccccc1.
What is the InChIKey of N-butyl-N-phenyl-2-(4-sulfanylphenyl)acetamide?
The InChIKey is IZWRSMFJGCZSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-2-3-13-19(16-7-5-4-6-8-16)18(20)14-15-9-11-17(21)12-10-15/h4-12,21H,2-3,13-14H2,1H3.
What are the key properties of N-butyl-N-phenyl-2-(4-sulfanylphenyl)acetamide?
N-butyl-N-phenyl-2-(4-sulfanylphenyl)acetamide has a molecular weight of 299.44 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-phenyl-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107030902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).