N-[3-(1-anilinoethyl)phenyl]-2-sulfanylacetamide

C16H18N2OS — CID 142321538

IUPACN-[3-(1-anilinoethyl)phenyl]-2-sulfanylacetamide
SMILESCC(Nc1ccccc1)c1cccc(NC(=O)CS)c1
InChIInChI=1S/C16H18N2OS/c1-12(17-14-7-3-2-4-8-14)13-6-5-9-15(10-13)18-16(19)11-20/h2-10,12,17,20H,11H2,1H3,(H,18,19)
InChIKeyUULJSNWTAKPLSN-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.73
Rot. Bonds5

About N-[3-(1-anilinoethyl)phenyl]-2-sulfanylacetamide

N-[3-(1-anilinoethyl)phenyl]-2-sulfanylacetamide (PubChem CID 142321538) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[3-(1-anilinoethyl)phenyl]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(1-anilinoethyl)phenyl]-2-sulfanylacetamide
PubChem CID142321538
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-[3-(1-anilinoethyl)phenyl]-2-sulfanylacetamide
SMILESCC(Nc1ccccc1)c1cccc(NC(=O)CS)c1
InChIInChI=1S/C16H18N2OS/c1-12(17-14-7-3-2-4-8-14)13-6-5-9-15(10-13)18-16(19)11-20/h2-10,12,17,20H,11H2,1H3,(H,18,19)
InChIKeyUULJSNWTAKPLSN-UHFFFAOYSA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472
N-(3-anilinophenyl)-2-sulfanylacetamide
CID 164884048
N-(3-acetamidophenyl)-2-sulfanylacetamide
CID 60650093
gold;N-phenyl-2-sulfanylacetamide
CID 138394114
3-oxo-3-(3-propan-2-ylanilino)propanoic acid
CID 62230571
methyl N-[3-(1-phenylethylamino)phenyl]carbamate
CID 60942216
N-[(1R)-1-phenylethyl]-2-sulfanylacetamide
CID 130013972
4-oxo-4-(3-propan-2-ylanilino)butanoic acid
CID 43396404
3-amino-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 43123771
3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 112765575
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 21491914

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-anilinoethyl)phenyl]-2-sulfanylacetamide?
The IUPAC name of N-[3-(1-anilinoethyl)phenyl]-2-sulfanylacetamide (CID 142321538) is N-[3-(1-anilinoethyl)phenyl]-2-sulfanylacetamide.
What is the SMILES notation for N-[3-(1-anilinoethyl)phenyl]-2-sulfanylacetamide?
The canonical SMILES for N-[3-(1-anilinoethyl)phenyl]-2-sulfanylacetamide is CC(Nc1ccccc1)c1cccc(NC(=O)CS)c1.
What is the InChIKey of N-[3-(1-anilinoethyl)phenyl]-2-sulfanylacetamide?
The InChIKey is UULJSNWTAKPLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-12(17-14-7-3-2-4-8-14)13-6-5-9-15(10-13)18-16(19)11-20/h2-10,12,17,20H,11H2,1H3,(H,18,19).
What are the key properties of N-[3-(1-anilinoethyl)phenyl]-2-sulfanylacetamide?
N-[3-(1-anilinoethyl)phenyl]-2-sulfanylacetamide has a molecular weight of 286.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-anilinoethyl)phenyl]-2-sulfanylacetamide is sourced from PubChem (CID 142321538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).