N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide

C17H20N2OS — CID 60648203

IUPACN-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C17H20N2OS/c1-2-12-18-13-17(20)19-15-10-6-7-11-16(15)21-14-8-4-3-5-9-14/h3-11,18H,2,12-13H2,1H3,(H,19,20)
InChIKeyBUXFMVWLXZTIMA-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.78
Rot. Bonds7

About N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide

N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide (PubChem CID 60648203) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide
PubChem CID60648203
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C17H20N2OS/c1-2-12-18-13-17(20)19-15-10-6-7-11-16(15)21-14-8-4-3-5-9-14/h3-11,18H,2,12-13H2,1H3,(H,19,20)
InChIKeyBUXFMVWLXZTIMA-UHFFFAOYSA-N
XLogP3.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(propylamino)-N-[2-[[2-(propylamino)acetyl]amino]phenyl]acetamide;hydrochloride
CID 54601113
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 54818713
N-(2-phenylsulfanylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 2104273
2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide
CID 28571076
N-(4-methylphenyl)-2-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]sulfanylacetamide
CID 34219891
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] N,N-diethylcarbamodithioate
CID 7841574
2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 19526400
N-(2-phenylsulfanylphenyl)but-3-enamide
CID 162717598
N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide
CID 4879989
2-amino-N-(2-phenylsulfanylphenyl)pentanamide
CID 61253814
4-(4-methylphenyl)-4-oxo-N-(2-phenylsulfanylphenyl)butanamide
CID 108796287

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide?
The IUPAC name of N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide (CID 60648203) is N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide.
What is the SMILES notation for N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide?
The canonical SMILES for N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide is CCCNCC(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide?
The InChIKey is BUXFMVWLXZTIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-2-12-18-13-17(20)19-15-10-6-7-11-16(15)21-14-8-4-3-5-9-14/h3-11,18H,2,12-13H2,1H3,(H,19,20).
What are the key properties of N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide?
N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide has a molecular weight of 300.43 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide is sourced from PubChem (CID 60648203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).