N-(3-carbamothioylphenyl)-2-(3-ethylmorpholin-4-yl)acetamide

C15H21N3O2S — CID 43613218

IUPACN-(3-carbamothioylphenyl)-2-(3-ethylmorpholin-4-yl)acetamide
SMILESCCC1COCCN1CC(=O)Nc1cccc(C(N)=S)c1
InChIInChI=1S/C15H21N3O2S/c1-2-13-10-20-7-6-18(13)9-14(19)17-12-5-3-4-11(8-12)15(16)21/h3-5,8,13H,2,6-7,9-10H2,1H3,(H2,16,21)(H,17,19)
InChIKeyVTPPTYTXANVVRS-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.37
Rot. Bonds5

About N-(3-carbamothioylphenyl)-2-(3-ethylmorpholin-4-yl)acetamide

N-(3-carbamothioylphenyl)-2-(3-ethylmorpholin-4-yl)acetamide (PubChem CID 43613218) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-2-(3-ethylmorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-2-(3-ethylmorpholin-4-yl)acetamide
PubChem CID43613218
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(3-carbamothioylphenyl)-2-(3-ethylmorpholin-4-yl)acetamide
SMILESCCC1COCCN1CC(=O)Nc1cccc(C(N)=S)c1
InChIInChI=1S/C15H21N3O2S/c1-2-13-10-20-7-6-18(13)9-14(19)17-12-5-3-4-11(8-12)15(16)21/h3-5,8,13H,2,6-7,9-10H2,1H3,(H2,16,21)(H,17,19)
InChIKeyVTPPTYTXANVVRS-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

N-(3-carbamothioylphenyl)-3-(3-methylmorpholin-4-yl)propanamide
CID 43542143
N-(3-amino-4-fluorophenyl)-2-(3-ethylmorpholin-4-yl)acetamide
CID 43611694
N-(3-carbamothioylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 24709451
N-(4-cyanophenyl)-2-(3-ethylmorpholin-4-yl)acetamide
CID 43613167
N-(3-carbamothioylphenyl)-2-piperidin-1-ylacetamide
CID 24691128
N-(2-amino-5-fluorophenyl)-2-(3-ethylmorpholin-4-yl)acetamide
CID 43612167
3-[[2-[4-(2-phenylethyl)morpholin-3-yl]acetyl]amino]benzamide
CID 56914703
N-(3-carbamothioylphenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide
CID 103533707
N-(3-aminophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266229
2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129380241
N-[3-(aminomethyl)phenyl]-2-(5-ethyl-2-methylmorpholin-4-yl)acetamide
CID 43575815
N-(3-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61287173

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-2-(3-ethylmorpholin-4-yl)acetamide?
The IUPAC name of N-(3-carbamothioylphenyl)-2-(3-ethylmorpholin-4-yl)acetamide (CID 43613218) is N-(3-carbamothioylphenyl)-2-(3-ethylmorpholin-4-yl)acetamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-2-(3-ethylmorpholin-4-yl)acetamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-2-(3-ethylmorpholin-4-yl)acetamide is CCC1COCCN1CC(=O)Nc1cccc(C(N)=S)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-2-(3-ethylmorpholin-4-yl)acetamide?
The InChIKey is VTPPTYTXANVVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-2-13-10-20-7-6-18(13)9-14(19)17-12-5-3-4-11(8-12)15(16)21/h3-5,8,13H,2,6-7,9-10H2,1H3,(H2,16,21)(H,17,19).
What are the key properties of N-(3-carbamothioylphenyl)-2-(3-ethylmorpholin-4-yl)acetamide?
N-(3-carbamothioylphenyl)-2-(3-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-(3-carbamothioylphenyl)-2-(3-ethylmorpholin-4-yl)acetamide is sourced from PubChem (CID 43613218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).