N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]thiophene-2-carboxamide

C17H17N3O3S2 — CID 4933178

IUPACN-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1C(=O)N1CCOCC1)c1cccs1
InChIInChI=1S/C17H17N3O3S2/c21-15(14-6-3-11-25-14)19-17(24)18-13-5-2-1-4-12(13)16(22)20-7-9-23-10-8-20/h1-6,11H,7-10H2,(H2,18,19,21,24)
InChIKeyNEZWXLXDYHNCBG-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.35
Rot. Bonds3

About N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]thiophene-2-carboxamide

N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]thiophene-2-carboxamide (PubChem CID 4933178) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]thiophene-2-carboxamide
PubChem CID4933178
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC NameN-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1C(=O)N1CCOCC1)c1cccs1
InChIInChI=1S/C17H17N3O3S2/c21-15(14-6-3-11-25-14)19-17(24)18-13-5-2-1-4-12(13)16(22)20-7-9-23-10-8-20/h1-6,11H,7-10H2,(H2,18,19,21,24)
InChIKeyNEZWXLXDYHNCBG-UHFFFAOYSA-N
XLogP2.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide
CID 4933228
N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045876
N-[2-(morpholine-4-carbonyl)phenyl]-2-thiophen-2-ylacetamide
CID 2988771
N-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 56518765
N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-4-propoxybenzamide
CID 4938956
methyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate
CID 740590
N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]tetradecanamide
CID 54791918
N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4936533
N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 4948035
N-[2-(1,4-diazepane-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 119415438
N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 653867
3-(4-fluorophenyl)-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]prop-2-enamide
CID 4933223

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]thiophene-2-carboxamide (CID 4933178) is N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]thiophene-2-carboxamide is O=C(NC(=S)Nc1ccccc1C(=O)N1CCOCC1)c1cccs1.
What is the InChIKey of N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
The InChIKey is NEZWXLXDYHNCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c21-15(14-6-3-11-25-14)19-17(24)18-13-5-2-1-4-12(13)16(22)20-7-9-23-10-8-20/h1-6,11H,7-10H2,(H2,18,19,21,24).
What are the key properties of N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]thiophene-2-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 4933178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).