2-morpholin-4-yl-N-[4-[(2-propylsulfanylacetyl)amino]phenyl]acetamide

C17H25N3O3S — CID 55831217

IUPAC2-morpholin-4-yl-N-[4-[(2-propylsulfanylacetyl)amino]phenyl]acetamide
SMILESCCCSCC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C17H25N3O3S/c1-2-11-24-13-17(22)19-15-5-3-14(4-6-15)18-16(21)12-20-7-9-23-10-8-20/h3-6H,2,7-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyIXTJVNXSNISDRT-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.04
Rot. Bonds8

About 2-morpholin-4-yl-N-[4-[(2-propylsulfanylacetyl)amino]phenyl]acetamide

2-morpholin-4-yl-N-[4-[(2-propylsulfanylacetyl)amino]phenyl]acetamide (PubChem CID 55831217) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[4-[(2-propylsulfanylacetyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[4-[(2-propylsulfanylacetyl)amino]phenyl]acetamide
PubChem CID55831217
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name2-morpholin-4-yl-N-[4-[(2-propylsulfanylacetyl)amino]phenyl]acetamide
SMILESCCCSCC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C17H25N3O3S/c1-2-11-24-13-17(22)19-15-5-3-14(4-6-15)18-16(21)12-20-7-9-23-10-8-20/h3-6H,2,7-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyIXTJVNXSNISDRT-UHFFFAOYSA-N
XLogP2.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
4-ethyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 16612017
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
N-[4-(4-methylphenoxy)phenyl]-2-morpholin-4-ylacetamide
CID 8903812
3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
CID 119840811
N-(4-ethynylphenyl)-2-morpholin-4-ylacetamide
CID 46844280
N-(4-cyclohexylphenyl)-2-morpholin-4-ylacetamide
CID 651814
N-(4-methoxyphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 11948773
3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 37154032
2-(2-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 51327232
N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride
CID 90485324

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[4-[(2-propylsulfanylacetyl)amino]phenyl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[4-[(2-propylsulfanylacetyl)amino]phenyl]acetamide (CID 55831217) is 2-morpholin-4-yl-N-[4-[(2-propylsulfanylacetyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[4-[(2-propylsulfanylacetyl)amino]phenyl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[4-[(2-propylsulfanylacetyl)amino]phenyl]acetamide is CCCSCC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1.
What is the InChIKey of 2-morpholin-4-yl-N-[4-[(2-propylsulfanylacetyl)amino]phenyl]acetamide?
The InChIKey is IXTJVNXSNISDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-2-11-24-13-17(22)19-15-5-3-14(4-6-15)18-16(21)12-20-7-9-23-10-8-20/h3-6H,2,7-13H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 2-morpholin-4-yl-N-[4-[(2-propylsulfanylacetyl)amino]phenyl]acetamide?
2-morpholin-4-yl-N-[4-[(2-propylsulfanylacetyl)amino]phenyl]acetamide has a molecular weight of 351.47 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[4-[(2-propylsulfanylacetyl)amino]phenyl]acetamide is sourced from PubChem (CID 55831217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).