2-(3-aminophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide

C17H20N2OS — CID 79128558

IUPAC2-(3-aminophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CSc1cccc(N)c1)c1ccccc1
InChIInChI=1S/C17H20N2OS/c1-13(2)19(15-8-4-3-5-9-15)17(20)12-21-16-10-6-7-14(18)11-16/h3-11,13H,12,18H2,1-2H3
InChIKeyVXVXYYLJJALMNC-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.80
Rot. Bonds5

About 2-(3-aminophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide

2-(3-aminophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide (PubChem CID 79128558) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
PubChem CID79128558
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-(3-aminophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CSc1cccc(N)c1)c1ccccc1
InChIInChI=1S/C17H20N2OS/c1-13(2)19(15-8-4-3-5-9-15)17(20)12-21-16-10-6-7-14(18)11-16/h3-11,13H,12,18H2,1-2H3
InChIKeyVXVXYYLJJALMNC-UHFFFAOYSA-N
XLogP3.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.80
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,N-diphenylacetamide
CID 18894747
N-(3-aminophenyl)-2-phenylsulfanyl-N-propylacetamide
CID 79212146
2-(3-aminophenyl)sulfanyl-N-phenylacetamide
CID 18894236
2-(3-aminophenyl)sulfanylacetamide
CID 19300065
5-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanyl-1,3,4-thiadiazole-2-carboxamide
CID 68835551
2-dihydroxyphosphinothioylsulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 149151907
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 55309277
N-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide
CID 78984518
2-(1-methylimidazol-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 47095379
2-(3-hydroxyphenyl)sulfanyl-N-methyl-N-phenylacetamide
CID 104590375
benzyl 2-(3-aminophenyl)sulfanylacetate
CID 69441434
2-(3-methoxyphenyl)sulfanyl-N-(2-methylphenyl)-N-propan-2-ylacetamide
CID 86893364

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-aminophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide (CID 79128558) is 2-(3-aminophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-aminophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-aminophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)CSc1cccc(N)c1)c1ccccc1.
What is the InChIKey of 2-(3-aminophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is VXVXYYLJJALMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13(2)19(15-8-4-3-5-9-15)17(20)12-21-16-10-6-7-14(18)11-16/h3-11,13H,12,18H2,1-2H3.
What are the key properties of 2-(3-aminophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide?
2-(3-aminophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 300.43 g/mol, XLogP of 3.80, 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-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 79128558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).