2-(3-aminophenyl)sulfanyl-N-phenylacetamide

C14H14N2OS — CID 18894236

IUPAC2-(3-aminophenyl)sulfanyl-N-phenylacetamide
SMILESNc1cccc(SCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C14H14N2OS/c15-11-5-4-8-13(9-11)18-10-14(17)16-12-6-2-1-3-7-12/h1-9H,10,15H2,(H,16,17)
InChIKeySUOSOQDAMKOHNV-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.00
Rot. Bonds4

About 2-(3-aminophenyl)sulfanyl-N-phenylacetamide

2-(3-aminophenyl)sulfanyl-N-phenylacetamide (PubChem CID 18894236) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfanyl-N-phenylacetamide
PubChem CID18894236
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-(3-aminophenyl)sulfanyl-N-phenylacetamide
SMILESNc1cccc(SCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C14H14N2OS/c15-11-5-4-8-13(9-11)18-10-14(17)16-12-6-2-1-3-7-12/h1-9H,10,15H2,(H,16,17)
InChIKeySUOSOQDAMKOHNV-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)sulfanyl-N-(3-ethylphenyl)acetamide
CID 79134495
N-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,3-dimethylbutanamide
CID 18907338
methyl N-[2-(3-aminophenyl)sulfanylacetyl]carbamate
CID 79133966
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042
2-(3-aminophenyl)sulfanylacetamide
CID 19300065
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712455
N-(4-iodophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316369
4-[[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoic acid
CID 19316379
2-(3-aminophenyl)sulfanyl-N-pentan-3-ylacetamide
CID 79134330
2-(3-aminophenyl)sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 79133682
2-(3-aminophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 79134564
2-(3-aminophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18894676

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)sulfanyl-N-phenylacetamide?
The IUPAC name of 2-(3-aminophenyl)sulfanyl-N-phenylacetamide (CID 18894236) is 2-(3-aminophenyl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-(3-aminophenyl)sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-(3-aminophenyl)sulfanyl-N-phenylacetamide is Nc1cccc(SCC(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-(3-aminophenyl)sulfanyl-N-phenylacetamide?
The InChIKey is SUOSOQDAMKOHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c15-11-5-4-8-13(9-11)18-10-14(17)16-12-6-2-1-3-7-12/h1-9H,10,15H2,(H,16,17).
What are the key properties of 2-(3-aminophenyl)sulfanyl-N-phenylacetamide?
2-(3-aminophenyl)sulfanyl-N-phenylacetamide has a molecular weight of 258.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)sulfanyl-N-phenylacetamide is sourced from PubChem (CID 18894236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).