3-amino-N-(2-methoxyphenyl)-2-phenyl-3-sulfanylidenepropanamide

C16H16N2O2S — CID 62877208

IUPAC3-amino-N-(2-methoxyphenyl)-2-phenyl-3-sulfanylidenepropanamide
SMILESCOc1ccccc1NC(=O)C(C(N)=S)c1ccccc1
InChIInChI=1S/C16H16N2O2S/c1-20-13-10-6-5-9-12(13)18-16(19)14(15(17)21)11-7-3-2-4-8-11/h2-10,14H,1H3,(H2,17,21)(H,18,19)
InChIKeyGTTZENWOXVHAPI-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.70
Rot. Bonds5

About 3-amino-N-(2-methoxyphenyl)-2-phenyl-3-sulfanylidenepropanamide

3-amino-N-(2-methoxyphenyl)-2-phenyl-3-sulfanylidenepropanamide (PubChem CID 62877208) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-amino-N-(2-methoxyphenyl)-2-phenyl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxyphenyl)-2-phenyl-3-sulfanylidenepropanamide
PubChem CID62877208
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name3-amino-N-(2-methoxyphenyl)-2-phenyl-3-sulfanylidenepropanamide
SMILESCOc1ccccc1NC(=O)C(C(N)=S)c1ccccc1
InChIInChI=1S/C16H16N2O2S/c1-20-13-10-6-5-9-12(13)18-16(19)14(15(17)21)11-7-3-2-4-8-11/h2-10,14H,1H3,(H2,17,21)(H,18,19)
InChIKeyGTTZENWOXVHAPI-UHFFFAOYSA-N
XLogP2.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyanilino)-2-sulfanylideneacetamide
CID 15526121
2-[(2,2-diphenylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 990917
ethane;(2-methoxyphenyl)urea
CID 143063924
2-(carbamoylamino)-N-(2-methoxyphenyl)propanamide
CID 47097666
benzhydryl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
CID 8545459
3-amino-N-(2-bromo-4-methylphenyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62877034
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
1-(2-amino-1-phenylethyl)-3-(2-methoxyphenyl)urea
CID 63767864
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132433
N'-(2-methoxyphenyl)propanedithioamide
CID 86107307
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxyphenyl)-2-phenyl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(2-methoxyphenyl)-2-phenyl-3-sulfanylidenepropanamide (CID 62877208) is 3-amino-N-(2-methoxyphenyl)-2-phenyl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(2-methoxyphenyl)-2-phenyl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(2-methoxyphenyl)-2-phenyl-3-sulfanylidenepropanamide is COc1ccccc1NC(=O)C(C(N)=S)c1ccccc1.
What is the InChIKey of 3-amino-N-(2-methoxyphenyl)-2-phenyl-3-sulfanylidenepropanamide?
The InChIKey is GTTZENWOXVHAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-20-13-10-6-5-9-12(13)18-16(19)14(15(17)21)11-7-3-2-4-8-11/h2-10,14H,1H3,(H2,17,21)(H,18,19).
What are the key properties of 3-amino-N-(2-methoxyphenyl)-2-phenyl-3-sulfanylidenepropanamide?
3-amino-N-(2-methoxyphenyl)-2-phenyl-3-sulfanylidenepropanamide has a molecular weight of 300.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxyphenyl)-2-phenyl-3-sulfanylidenepropanamide is sourced from PubChem (CID 62877208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).