2-[ethyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide

C26H29N3O3S — CID 55369929

IUPAC2-[ethyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C26H29N3O3S/c1-2-28(26(31)19-33-24-12-7-20-5-3-4-6-21(20)17-24)18-25(30)27-22-8-10-23(11-9-22)29-13-15-32-16-14-29/h3-12,17H,2,13-16,18-19H2,1H3,(H,27,30)
InChIKeyCSRFMGCHQKWKJV-UHFFFAOYSA-N
MW463.60 g/mol
LogP4.26
Rot. Bonds8

About 2-[ethyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[ethyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 55369929) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is 2-[ethyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID55369929
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC Name2-[ethyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C26H29N3O3S/c1-2-28(26(31)19-33-24-12-7-20-5-3-4-6-21(20)17-24)18-25(30)27-22-8-10-23(11-9-22)29-13-15-32-16-14-29/h3-12,17H,2,13-16,18-19H2,1H3,(H,27,30)
InChIKeyCSRFMGCHQKWKJV-UHFFFAOYSA-N
XLogP4.26
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(2-fluorophenyl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 8960473
2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55342225
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55328741
N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide
CID 51156379
2-[ethyl-[2-(3-methylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8960478
2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4044574
N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 51156382
1-chloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]isoquinoline-3-carboxamide
CID 55666693
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 51156383
N-ethyl-2-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
CID 51331192
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 8960463
2-[methyl-[2-(4-methylsulfanylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464363

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[ethyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 55369929) is 2-[ethyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[ethyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide is CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CSc1ccc2ccccc2c1.
What is the InChIKey of 2-[ethyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is CSRFMGCHQKWKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-2-28(26(31)19-33-24-12-7-20-5-3-4-6-21(20)17-24)18-25(30)27-22-8-10-23(11-9-22)29-13-15-32-16-14-29/h3-12,17H,2,13-16,18-19H2,1H3,(H,27,30).
What are the key properties of 2-[ethyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[ethyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 463.60 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 55369929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).