N-(3-methoxyphenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide

C15H23N3O2S — CID 106325697

IUPACN-(3-methoxyphenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide
SMILESCOc1cccc(NC(=O)CNCCN2CCSCC2)c1
InChIInChI=1S/C15H23N3O2S/c1-20-14-4-2-3-13(11-14)17-15(19)12-16-5-6-18-7-9-21-10-8-18/h2-4,11,16H,5-10,12H2,1H3,(H,17,19)
InChIKeyJTFKPAHNZKNSEV-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.27
Rot. Bonds7

About N-(3-methoxyphenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide

N-(3-methoxyphenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide (PubChem CID 106325697) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide
PubChem CID106325697
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-(3-methoxyphenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide
SMILESCOc1cccc(NC(=O)CNCCN2CCSCC2)c1
InChIInChI=1S/C15H23N3O2S/c1-20-14-4-2-3-13(11-14)17-15(19)12-16-5-6-18-7-9-21-10-8-18/h2-4,11,16H,5-10,12H2,1H3,(H,17,19)
InChIKeyJTFKPAHNZKNSEV-UHFFFAOYSA-N
XLogP1.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.27
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

N-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide
CID 63226538
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
5-[[2-(3-methoxyanilino)-2-oxoethyl]amino]pentanamide
CID 106237534
N-ethyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 43401692
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479
N-(3-methoxyphenyl)-2-(3-propoxypropylamino)acetamide
CID 82940732
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-methoxyphenyl)acetamide
CID 106047194
N-(3-methoxyphenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
CID 102905462
N-(3-methoxyphenyl)thiomorpholine-4-carbothioamide
CID 125475588
N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029405
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 21383169

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide (CID 106325697) is N-(3-methoxyphenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide is COc1cccc(NC(=O)CNCCN2CCSCC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide?
The InChIKey is JTFKPAHNZKNSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-20-14-4-2-3-13(11-14)17-15(19)12-16-5-6-18-7-9-21-10-8-18/h2-4,11,16H,5-10,12H2,1H3,(H,17,19).
What are the key properties of N-(3-methoxyphenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide?
N-(3-methoxyphenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide has a molecular weight of 309.44 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide is sourced from PubChem (CID 106325697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).