N-(3-aminophenyl)-3-(benzenesulfinyl)propanamide

C15H16N2O2S — CID 61303387

IUPACN-(3-aminophenyl)-3-(benzenesulfinyl)propanamide
SMILESNc1cccc(NC(=O)CCS(=O)c2ccccc2)c1
InChIInChI=1S/C15H16N2O2S/c16-12-5-4-6-13(11-12)17-15(18)9-10-20(19)14-7-2-1-3-8-14/h1-8,11H,9-10,16H2,(H,17,18)
InChIKeyXYVVHDYNAOIWJG-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.41
Rot. Bonds5

About N-(3-aminophenyl)-3-(benzenesulfinyl)propanamide

N-(3-aminophenyl)-3-(benzenesulfinyl)propanamide (PubChem CID 61303387) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-(benzenesulfinyl)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-(benzenesulfinyl)propanamide
PubChem CID61303387
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(3-aminophenyl)-3-(benzenesulfinyl)propanamide
SMILESNc1cccc(NC(=O)CCS(=O)c2ccccc2)c1
InChIInChI=1S/C15H16N2O2S/c16-12-5-4-6-13(11-12)17-15(18)9-10-20(19)14-7-2-1-3-8-14/h1-8,11H,9-10,16H2,(H,17,18)
InChIKeyXYVVHDYNAOIWJG-UHFFFAOYSA-N
XLogP2.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.41
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

N-(3-aminophenyl)-3-(2-bromophenyl)sulfinylpropanamide
CID 61288026
N-(3-aminophenyl)-2-tert-butylsulfinylacetamide
CID 61304416
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
N-(3-aminophenyl)-3-(N-methylanilino)propanamide
CID 16778596
N-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide
CID 61286825
3-[[2-(3-aminoanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 82224717
N-(3-aminophenyl)-2-(N-methylanilino)acetamide
CID 16779401
N-(4-aminophenyl)-3-(4-chlorophenyl)sulfinylpropanamide
CID 61302979
N-(3-aminophenyl)-2-(2-methoxyethylsulfinyl)acetamide
CID 61288850
N-(3-aminophenyl)-2-(N-ethylanilino)acetamide
CID 16790236
N-(3-aminophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80744377
4-(2-amino-2-oxoethyl)sulfanyl-N-(3-aminophenyl)butanamide
CID 114231287

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-(benzenesulfinyl)propanamide?
The IUPAC name of N-(3-aminophenyl)-3-(benzenesulfinyl)propanamide (CID 61303387) is N-(3-aminophenyl)-3-(benzenesulfinyl)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-(benzenesulfinyl)propanamide?
The canonical SMILES for N-(3-aminophenyl)-3-(benzenesulfinyl)propanamide is Nc1cccc(NC(=O)CCS(=O)c2ccccc2)c1.
What is the InChIKey of N-(3-aminophenyl)-3-(benzenesulfinyl)propanamide?
The InChIKey is XYVVHDYNAOIWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c16-12-5-4-6-13(11-12)17-15(18)9-10-20(19)14-7-2-1-3-8-14/h1-8,11H,9-10,16H2,(H,17,18).
What are the key properties of N-(3-aminophenyl)-3-(benzenesulfinyl)propanamide?
N-(3-aminophenyl)-3-(benzenesulfinyl)propanamide has a molecular weight of 288.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-(benzenesulfinyl)propanamide is sourced from PubChem (CID 61303387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).