2-(2-anilino-2-oxoethyl)sulfanyl-N-[4-(diethylamino)butyl]acetamide

C18H29N3O2S — CID 39083520

IUPAC2-(2-anilino-2-oxoethyl)sulfanyl-N-[4-(diethylamino)butyl]acetamide
SMILESCCN(CC)CCCCNC(=O)CSCC(=O)Nc1ccccc1
InChIInChI=1S/C18H29N3O2S/c1-3-21(4-2)13-9-8-12-19-17(22)14-24-15-18(23)20-16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyXWNGHKSSUQBGDG-UHFFFAOYSA-N
MW351.52 g/mol
LogP2.60
Rot. Bonds12

About 2-(2-anilino-2-oxoethyl)sulfanyl-N-[4-(diethylamino)butyl]acetamide

2-(2-anilino-2-oxoethyl)sulfanyl-N-[4-(diethylamino)butyl]acetamide (PubChem CID 39083520) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is 2-(2-anilino-2-oxoethyl)sulfanyl-N-[4-(diethylamino)butyl]acetamide.

Molecular Properties

Compound Name2-(2-anilino-2-oxoethyl)sulfanyl-N-[4-(diethylamino)butyl]acetamide
PubChem CID39083520
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC Name2-(2-anilino-2-oxoethyl)sulfanyl-N-[4-(diethylamino)butyl]acetamide
SMILESCCN(CC)CCCCNC(=O)CSCC(=O)Nc1ccccc1
InChIInChI=1S/C18H29N3O2S/c1-3-21(4-2)13-9-8-12-19-17(22)14-24-15-18(23)20-16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyXWNGHKSSUQBGDG-UHFFFAOYSA-N
XLogP2.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(2-anilino-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 82032731
2-(2-anilino-2-oxoethyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 7574875
N-[4-(diethylamino)butyl]-2-phenoxyacetamide
CID 110442217
3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide
CID 119953159
2-(2-anilino-2-oxoethyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 39083495
3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
CID 171553811
2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 39076015
S-[2-[(6-anilino-6-oxohexyl)amino]-2-oxoethyl] ethanethioate
CID 11370695
4-(6-benzamidohexanoylamino)-N-[2-(diethylamino)ethyl]benzamide
CID 110839377
2-(2-anilino-2-oxoethyl)sulfanylacetate
CID 5216476
1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea
CID 110446856
3-[[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanylacetyl]amino]propanoic acid
CID 82033038

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-2-oxoethyl)sulfanyl-N-[4-(diethylamino)butyl]acetamide?
The IUPAC name of 2-(2-anilino-2-oxoethyl)sulfanyl-N-[4-(diethylamino)butyl]acetamide (CID 39083520) is 2-(2-anilino-2-oxoethyl)sulfanyl-N-[4-(diethylamino)butyl]acetamide.
What is the SMILES notation for 2-(2-anilino-2-oxoethyl)sulfanyl-N-[4-(diethylamino)butyl]acetamide?
The canonical SMILES for 2-(2-anilino-2-oxoethyl)sulfanyl-N-[4-(diethylamino)butyl]acetamide is CCN(CC)CCCCNC(=O)CSCC(=O)Nc1ccccc1.
What is the InChIKey of 2-(2-anilino-2-oxoethyl)sulfanyl-N-[4-(diethylamino)butyl]acetamide?
The InChIKey is XWNGHKSSUQBGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-3-21(4-2)13-9-8-12-19-17(22)14-24-15-18(23)20-16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 2-(2-anilino-2-oxoethyl)sulfanyl-N-[4-(diethylamino)butyl]acetamide?
2-(2-anilino-2-oxoethyl)sulfanyl-N-[4-(diethylamino)butyl]acetamide has a molecular weight of 351.52 g/mol, XLogP of 2.60, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-2-oxoethyl)sulfanyl-N-[4-(diethylamino)butyl]acetamide is sourced from PubChem (CID 39083520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).