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

C21H20N2OS — CID 858973

IUPAC2-(2-aminophenyl)sulfanyl-N-benzyl-N-phenylacetamide
SMILESNc1ccccc1SCC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2OS/c22-19-13-7-8-14-20(19)25-16-21(24)23(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-14H,15-16,22H2
InChIKeySWJRQUBDKORXJL-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.59
Rot. Bonds6

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

2-(2-aminophenyl)sulfanyl-N-benzyl-N-phenylacetamide (PubChem CID 858973) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-benzyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-benzyl-N-phenylacetamide
PubChem CID858973
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC Name2-(2-aminophenyl)sulfanyl-N-benzyl-N-phenylacetamide
SMILESNc1ccccc1SCC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2OS/c22-19-13-7-8-14-20(19)25-16-21(24)23(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-14H,15-16,22H2
InChIKeySWJRQUBDKORXJL-UHFFFAOYSA-N
XLogP4.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)-N-benzyl-N-phenylacetamide
CID 28712694
N-benzyl-2-(4-bromophenyl)sulfanyl-N-phenylacetamide
CID 39075033
N-benzyl-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 3169632
3-amino-N-benzyl-N-phenylbutanamide
CID 61260730
2-(2-amino-5-methylphenyl)sulfanyl-N-benzyl-N-methylacetamide
CID 79128287
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-(3-methylphenyl)acetamide
CID 40663508
(4-aminophenyl)-benzylcarbamic acid
CID 69046621
(2R)-2-amino-N-benzyl-N-phenylpropanamide
CID 54996061
N-benzyl-4-hydroxy-N-phenylbutanamide
CID 79191710
5-(N-benzylanilino)-3-methyl-5-oxopentanoic acid
CID 11709377
2-(2-aminophenyl)sulfanylacetate
CID 4739500
2-(2-aminophenyl)sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 43249154

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-benzyl-N-phenylacetamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-benzyl-N-phenylacetamide (CID 858973) is 2-(2-aminophenyl)sulfanyl-N-benzyl-N-phenylacetamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-benzyl-N-phenylacetamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-benzyl-N-phenylacetamide is Nc1ccccc1SCC(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-benzyl-N-phenylacetamide?
The InChIKey is SWJRQUBDKORXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2OS/c22-19-13-7-8-14-20(19)25-16-21(24)23(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-14H,15-16,22H2.
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-benzyl-N-phenylacetamide?
2-(2-aminophenyl)sulfanyl-N-benzyl-N-phenylacetamide has a molecular weight of 348.47 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-benzyl-N-phenylacetamide is sourced from PubChem (CID 858973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).