N-(3-aminophenyl)-2-phenylsulfanyl-N-propylacetamide

C17H20N2OS — CID 79212146

IUPACN-(3-aminophenyl)-2-phenylsulfanyl-N-propylacetamide
SMILESCCCN(C(=O)CSc1ccccc1)c1cccc(N)c1
InChIInChI=1S/C17H20N2OS/c1-2-11-19(15-8-6-7-14(18)12-15)17(20)13-21-16-9-4-3-5-10-16/h3-10,12H,2,11,13,18H2,1H3
InChIKeyXAONUMYBQJAYEQ-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.80
Rot. Bonds6

About N-(3-aminophenyl)-2-phenylsulfanyl-N-propylacetamide

N-(3-aminophenyl)-2-phenylsulfanyl-N-propylacetamide (PubChem CID 79212146) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-phenylsulfanyl-N-propylacetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-phenylsulfanyl-N-propylacetamide
PubChem CID79212146
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-(3-aminophenyl)-2-phenylsulfanyl-N-propylacetamide
SMILESCCCN(C(=O)CSc1ccccc1)c1cccc(N)c1
InChIInChI=1S/C17H20N2OS/c1-2-11-19(15-8-6-7-14(18)12-15)17(20)13-21-16-9-4-3-5-10-16/h3-10,12H,2,11,13,18H2,1H3
InChIKeyXAONUMYBQJAYEQ-UHFFFAOYSA-N
XLogP3.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

N-(3-methylphenyl)-2-(4-methylphenyl)sulfanyl-N-propylacetamide
CID 17321405
N-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide
CID 80743723
2-(3-aminophenyl)sulfanyl-N,N-diphenylacetamide
CID 18894747
N-(3-aminophenyl)-2-cyclopropyl-N-propylacetamide
CID 63229908
2-(3-aminophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 79128558
N-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide
CID 78984518
1-(3-aminophenyl)-3-ethyl-1-propylurea
CID 63230299
N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide
CID 107971045
N-(3-aminophenyl)-3-methyl-N-propylimidazole-4-carboxamide
CID 103510337
1-(3-aminophenyl)-3-butyl-1-propylurea
CID 63230297
N-(3-aminophenyl)-3,5-dichloro-N-propylbenzamide
CID 63230069
N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-phenylsulfanyl-N-propylacetamide?
The IUPAC name of N-(3-aminophenyl)-2-phenylsulfanyl-N-propylacetamide (CID 79212146) is N-(3-aminophenyl)-2-phenylsulfanyl-N-propylacetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-phenylsulfanyl-N-propylacetamide?
The canonical SMILES for N-(3-aminophenyl)-2-phenylsulfanyl-N-propylacetamide is CCCN(C(=O)CSc1ccccc1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-phenylsulfanyl-N-propylacetamide?
The InChIKey is XAONUMYBQJAYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-2-11-19(15-8-6-7-14(18)12-15)17(20)13-21-16-9-4-3-5-10-16/h3-10,12H,2,11,13,18H2,1H3.
What are the key properties of N-(3-aminophenyl)-2-phenylsulfanyl-N-propylacetamide?
N-(3-aminophenyl)-2-phenylsulfanyl-N-propylacetamide has a molecular weight of 300.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-phenylsulfanyl-N-propylacetamide is sourced from PubChem (CID 79212146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).