N-(2-carbamothioylphenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide

C15H21N3O2S — CID 43592815

IUPACN-(2-carbamothioylphenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
SMILESCC1(C)CN(CC(=O)Nc2ccccc2C(N)=S)CCO1
InChIInChI=1S/C15H21N3O2S/c1-15(2)10-18(7-8-20-15)9-13(19)17-12-6-4-3-5-11(12)14(16)21/h3-6H,7-10H2,1-2H3,(H2,16,21)(H,17,19)
InChIKeyMWJNEWIPRXFEAV-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.37
Rot. Bonds4

About N-(2-carbamothioylphenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide

N-(2-carbamothioylphenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide (PubChem CID 43592815) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(2-carbamothioylphenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-carbamothioylphenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
PubChem CID43592815
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(2-carbamothioylphenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
SMILESCC1(C)CN(CC(=O)Nc2ccccc2C(N)=S)CCO1
InChIInChI=1S/C15H21N3O2S/c1-15(2)10-18(7-8-20-15)9-13(19)17-12-6-4-3-5-11(12)14(16)21/h3-6H,7-10H2,1-2H3,(H2,16,21)(H,17,19)
InChIKeyMWJNEWIPRXFEAV-UHFFFAOYSA-N
XLogP1.37
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 43592397
N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 43592349
2-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)ethanone
CID 43797387
2-[[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55493980
2-[[2-(4-oxopiperidin-1-yl)acetyl]amino]benzamide
CID 82342701
2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61202030
N-(2-carbamothioylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 29276180
2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
CID 22199066
N-(2-carbamothioylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477465
N-(2-carbamothioylphenyl)-3-hydroxypropanamide
CID 43165081
2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 18277431
2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 60968756

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylphenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide?
The IUPAC name of N-(2-carbamothioylphenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide (CID 43592815) is N-(2-carbamothioylphenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide.
What is the SMILES notation for N-(2-carbamothioylphenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide?
The canonical SMILES for N-(2-carbamothioylphenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide is CC1(C)CN(CC(=O)Nc2ccccc2C(N)=S)CCO1.
What is the InChIKey of N-(2-carbamothioylphenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide?
The InChIKey is MWJNEWIPRXFEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-15(2)10-18(7-8-20-15)9-13(19)17-12-6-4-3-5-11(12)14(16)21/h3-6H,7-10H2,1-2H3,(H2,16,21)(H,17,19).
What are the key properties of N-(2-carbamothioylphenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide?
N-(2-carbamothioylphenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide has a molecular weight of 307.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylphenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide is sourced from PubChem (CID 43592815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).