2-(3-aminophenyl)sulfanyl-N,N-diphenylacetamide

C20H18N2OS — CID 18894747

IUPAC2-(3-aminophenyl)sulfanyl-N,N-diphenylacetamide
SMILESNc1cccc(SCC(=O)N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H18N2OS/c21-16-8-7-13-19(14-16)24-15-20(23)22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14H,15,21H2
InChIKeyFNRXKPHEGZSKSH-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.73
Rot. Bonds5

About 2-(3-aminophenyl)sulfanyl-N,N-diphenylacetamide

2-(3-aminophenyl)sulfanyl-N,N-diphenylacetamide (PubChem CID 18894747) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfanyl-N,N-diphenylacetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfanyl-N,N-diphenylacetamide
PubChem CID18894747
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name2-(3-aminophenyl)sulfanyl-N,N-diphenylacetamide
SMILESNc1cccc(SCC(=O)N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H18N2OS/c21-16-8-7-13-19(14-16)24-15-20(23)22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14H,15,21H2
InChIKeyFNRXKPHEGZSKSH-UHFFFAOYSA-N
XLogP4.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.73
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-(3-aminophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 79128558
N-(3-aminophenyl)-2-phenylsulfanyl-N-propylacetamide
CID 79212146
2-(3-aminophenyl)sulfanylacetamide
CID 19300065
2-(3-aminophenyl)sulfanyl-N-phenylacetamide
CID 18894236
2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N,N-diphenylacetamide
CID 4757133
benzyl 2-(3-aminophenyl)sulfanylacetate
CID 69441434
2-(3-aminophenyl)sulfanyl-N,N-dicyclohexylacetamide
CID 18894930
2-(4-tert-butylphenyl)sulfanyl-N,N-diphenylacetamide
CID 5145476
2-methyl-N-[3-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]benzamide
CID 19300010
N-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide
CID 78984518
2-(3-hydroxyphenyl)sulfanyl-N-methyl-N-phenylacetamide
CID 104590375
3-[(3-aminophenyl)disulfanyl]aniline
CID 11172703

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)sulfanyl-N,N-diphenylacetamide?
The IUPAC name of 2-(3-aminophenyl)sulfanyl-N,N-diphenylacetamide (CID 18894747) is 2-(3-aminophenyl)sulfanyl-N,N-diphenylacetamide.
What is the SMILES notation for 2-(3-aminophenyl)sulfanyl-N,N-diphenylacetamide?
The canonical SMILES for 2-(3-aminophenyl)sulfanyl-N,N-diphenylacetamide is Nc1cccc(SCC(=O)N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-(3-aminophenyl)sulfanyl-N,N-diphenylacetamide?
The InChIKey is FNRXKPHEGZSKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c21-16-8-7-13-19(14-16)24-15-20(23)22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14H,15,21H2.
What are the key properties of 2-(3-aminophenyl)sulfanyl-N,N-diphenylacetamide?
2-(3-aminophenyl)sulfanyl-N,N-diphenylacetamide has a molecular weight of 334.44 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)sulfanyl-N,N-diphenylacetamide is sourced from PubChem (CID 18894747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).