2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide

C16H23ClN2O2S — CID 24657890

IUPAC2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CSCc1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2S/c1-4-19(9-15(20)18-12(2)3)16(21)11-22-10-13-5-7-14(17)8-6-13/h5-8,12H,4,9-11H2,1-3H3,(H,18,20)
InChIKeyVQVHJAHHQRFAFM-UHFFFAOYSA-N
MW342.89 g/mol
LogP2.95
Rot. Bonds8

About 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide

2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide (PubChem CID 24657890) has the molecular formula C16H23ClN2O2S and a molecular weight of 342.89 g/mol. Its IUPAC name is 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide
PubChem CID24657890
Molecular FormulaC16H23ClN2O2S
Molecular Weight342.89 g/mol
Exact Mass342.12
IUPAC Name2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CSCc1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2S/c1-4-19(9-15(20)18-12(2)3)16(21)11-22-10-13-5-7-14(17)8-6-13/h5-8,12H,4,9-11H2,1-3H3,(H,18,20)
InChIKeyVQVHJAHHQRFAFM-UHFFFAOYSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]acetic acid
CID 54901266
3-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]propanoic acid
CID 61006968
2-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79387561
ethyl 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]propanoate
CID 61343328
2-[ethyl-[2-(2-hydroxyphenyl)sulfanylacetyl]amino]-N-propan-2-ylacetamide
CID 62000330
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide
CID 113162680
N-ethyl-2-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 78789833
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 18189786
N,N-diethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 60629714
N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide
CID 83518576
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978
2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132669790

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide (CID 24657890) is 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)C(=O)CSCc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is VQVHJAHHQRFAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2S/c1-4-19(9-15(20)18-12(2)3)16(21)11-22-10-13-5-7-14(17)8-6-13/h5-8,12H,4,9-11H2,1-3H3,(H,18,20).
What are the key properties of 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide?
2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 342.89 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 24657890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).