N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(3-methylphenyl)acetamide

C17H18N2OS — CID 62388540

IUPACN-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NC(C(N)=S)c2ccccc2)c1
InChIInChI=1S/C17H18N2OS/c1-12-6-5-7-13(10-12)11-15(20)19-16(17(18)21)14-8-3-2-4-9-14/h2-10,16H,11H2,1H3,(H2,18,21)(H,19,20)
InChIKeyTVNMOOIYOHICAF-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.68
Rot. Bonds5

About N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(3-methylphenyl)acetamide

N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(3-methylphenyl)acetamide (PubChem CID 62388540) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(3-methylphenyl)acetamide
PubChem CID62388540
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NC(C(N)=S)c2ccccc2)c1
InChIInChI=1S/C17H18N2OS/c1-12-6-5-7-13(10-12)11-15(20)19-16(17(18)21)14-8-3-2-4-9-14/h2-10,16H,11H2,1H3,(H2,18,21)(H,19,20)
InChIKeyTVNMOOIYOHICAF-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide
CID 51315397
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(3-methylphenyl)acetamide
CID 103945384
2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 51289830
(2R)-4-amino-2-[[2-(3-methylphenyl)acetyl]amino]-4-oxobutanoic acid
CID 114004738
2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62390110
2-[[2-(3-methylphenoxy)acetyl]amino]-2-phenylacetamide
CID 47017240
(2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-methylphenyl)acetyl]amino]propanamide
CID 140999664
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-thiophen-2-ylacetamide
CID 61121759
3-(3-methylphenyl)-2-phenylpropanamide
CID 123295994
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-ethoxyacetamide
CID 61119625
(2R)-2-[(2-naphthalen-2-ylacetyl)amino]-2-phenylacetamide
CID 42377162
2-phenyl-2-[(2-phenylacetyl)amino]ethanethioic S-acid
CID 54430659

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(3-methylphenyl)acetamide (CID 62388540) is N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NC(C(N)=S)c2ccccc2)c1.
What is the InChIKey of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(3-methylphenyl)acetamide?
The InChIKey is TVNMOOIYOHICAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-12-6-5-7-13(10-12)11-15(20)19-16(17(18)21)14-8-3-2-4-9-14/h2-10,16H,11H2,1H3,(H2,18,21)(H,19,20).
What are the key properties of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(3-methylphenyl)acetamide?
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(3-methylphenyl)acetamide has a molecular weight of 298.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 62388540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).