3-(2-aminophenyl)-N-[(1-phenylsulfanylcyclopropyl)methyl]propanamide

C19H22N2OS — CID 120610683

IUPAC3-(2-aminophenyl)-N-[(1-phenylsulfanylcyclopropyl)methyl]propanamide
SMILESNc1ccccc1CCC(=O)NCC1(Sc2ccccc2)CC1
InChIInChI=1S/C19H22N2OS/c20-17-9-5-4-6-15(17)10-11-18(22)21-14-19(12-13-19)23-16-7-2-1-3-8-16/h1-9H,10-14,20H2,(H,21,22)
InChIKeyFIFGCVILGPROOC-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.64
Rot. Bonds7

About 3-(2-aminophenyl)-N-[(1-phenylsulfanylcyclopropyl)methyl]propanamide

3-(2-aminophenyl)-N-[(1-phenylsulfanylcyclopropyl)methyl]propanamide (PubChem CID 120610683) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[(1-phenylsulfanylcyclopropyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[(1-phenylsulfanylcyclopropyl)methyl]propanamide
PubChem CID120610683
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name3-(2-aminophenyl)-N-[(1-phenylsulfanylcyclopropyl)methyl]propanamide
SMILESNc1ccccc1CCC(=O)NCC1(Sc2ccccc2)CC1
InChIInChI=1S/C19H22N2OS/c20-17-9-5-4-6-15(17)10-11-18(22)21-14-19(12-13-19)23-16-7-2-1-3-8-16/h1-9H,10-14,20H2,(H,21,22)
InChIKeyFIFGCVILGPROOC-UHFFFAOYSA-N
XLogP3.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.64
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

2-[1-[[3-(2-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 107273261
4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
CID 119323040
3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 107273259
1-[[3-(2-aminophenyl)propanoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydrochloride
CID 120610787
2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride
CID 119782892
3-(2-aminophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101366
4-(methylamino)-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
CID 119782643
3-(2-aminophenyl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]propanamide
CID 120610868
3-(2-aminophenyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide
CID 120613142
3-(2-aminophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 120611193
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 119323193
4,4,4-trifluoro-N-[(4-phenylsulfanyloxan-4-yl)methyl]butanamide
CID 90604934

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[(1-phenylsulfanylcyclopropyl)methyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[(1-phenylsulfanylcyclopropyl)methyl]propanamide (CID 120610683) is 3-(2-aminophenyl)-N-[(1-phenylsulfanylcyclopropyl)methyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[(1-phenylsulfanylcyclopropyl)methyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[(1-phenylsulfanylcyclopropyl)methyl]propanamide is Nc1ccccc1CCC(=O)NCC1(Sc2ccccc2)CC1.
What is the InChIKey of 3-(2-aminophenyl)-N-[(1-phenylsulfanylcyclopropyl)methyl]propanamide?
The InChIKey is FIFGCVILGPROOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c20-17-9-5-4-6-15(17)10-11-18(22)21-14-19(12-13-19)23-16-7-2-1-3-8-16/h1-9H,10-14,20H2,(H,21,22).
What are the key properties of 3-(2-aminophenyl)-N-[(1-phenylsulfanylcyclopropyl)methyl]propanamide?
3-(2-aminophenyl)-N-[(1-phenylsulfanylcyclopropyl)methyl]propanamide has a molecular weight of 326.47 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[(1-phenylsulfanylcyclopropyl)methyl]propanamide is sourced from PubChem (CID 120610683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).