N-(4-carbamothioylphenyl)-2-(2-ethylmorpholin-4-yl)acetamide

C15H21N3O2S — CID 43562692

IUPACN-(4-carbamothioylphenyl)-2-(2-ethylmorpholin-4-yl)acetamide
SMILESCCC1CN(CC(=O)Nc2ccc(C(N)=S)cc2)CCO1
InChIInChI=1S/C15H21N3O2S/c1-2-13-9-18(7-8-20-13)10-14(19)17-12-5-3-11(4-6-12)15(16)21/h3-6,13H,2,7-10H2,1H3,(H2,16,21)(H,17,19)
InChIKeySAAPVWSTVZFQKT-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.37
Rot. Bonds5

About N-(4-carbamothioylphenyl)-2-(2-ethylmorpholin-4-yl)acetamide

N-(4-carbamothioylphenyl)-2-(2-ethylmorpholin-4-yl)acetamide (PubChem CID 43562692) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-2-(2-ethylmorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-2-(2-ethylmorpholin-4-yl)acetamide
PubChem CID43562692
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(4-carbamothioylphenyl)-2-(2-ethylmorpholin-4-yl)acetamide
SMILESCCC1CN(CC(=O)Nc2ccc(C(N)=S)cc2)CCO1
InChIInChI=1S/C15H21N3O2S/c1-2-13-9-18(7-8-20-13)10-14(19)17-12-5-3-11(4-6-12)15(16)21/h3-6,13H,2,7-10H2,1H3,(H2,16,21)(H,17,19)
InChIKeySAAPVWSTVZFQKT-UHFFFAOYSA-N
XLogP1.37
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

4-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]benzamide
CID 79834650
N-(4-carbamothioylphenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584521
2-[2-(aminomethyl)morpholin-4-yl]-N-phenylacetamide
CID 61336829
N-(4-carbamothioylphenyl)-2-(3,4-dimethylpiperazin-1-yl)acetamide
CID 63608633
2-(2-ethylmorpholin-4-yl)acetohydrazide
CID 63573112
4-[2-oxo-2-(4-phenylanilino)ethyl]morpholine-2-carboxamide
CID 49451499
N-(5-amino-2-fluorophenyl)-2-(2-ethylmorpholin-4-yl)acetamide
CID 43562303
2-[4-[2-(4-chloroanilino)-2-oxoethyl]morpholin-2-yl]acetic acid
CID 66433081
ethyl 4-[[2-[(2R)-2-propan-2-ylmorpholin-4-yl]acetyl]amino]benzoate
CID 97260580
3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorobenzenecarbothioamide
CID 43562689
N-(4-acetylphenyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 36737265
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 114398812

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-2-(2-ethylmorpholin-4-yl)acetamide?
The IUPAC name of N-(4-carbamothioylphenyl)-2-(2-ethylmorpholin-4-yl)acetamide (CID 43562692) is N-(4-carbamothioylphenyl)-2-(2-ethylmorpholin-4-yl)acetamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-2-(2-ethylmorpholin-4-yl)acetamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-2-(2-ethylmorpholin-4-yl)acetamide is CCC1CN(CC(=O)Nc2ccc(C(N)=S)cc2)CCO1.
What is the InChIKey of N-(4-carbamothioylphenyl)-2-(2-ethylmorpholin-4-yl)acetamide?
The InChIKey is SAAPVWSTVZFQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-2-13-9-18(7-8-20-13)10-14(19)17-12-5-3-11(4-6-12)15(16)21/h3-6,13H,2,7-10H2,1H3,(H2,16,21)(H,17,19).
What are the key properties of N-(4-carbamothioylphenyl)-2-(2-ethylmorpholin-4-yl)acetamide?
N-(4-carbamothioylphenyl)-2-(2-ethylmorpholin-4-yl)acetamide has a molecular weight of 307.42 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-2-(2-ethylmorpholin-4-yl)acetamide is sourced from PubChem (CID 43562692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).