N-[(2-morpholin-4-ylphenyl)carbamothioyl]butanamide

C15H21N3O2S — CID 833951

IUPACN-[(2-morpholin-4-ylphenyl)carbamothioyl]butanamide
SMILESCCCC(=O)NC(=S)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C15H21N3O2S/c1-2-5-14(19)17-15(21)16-12-6-3-4-7-13(12)18-8-10-20-11-9-18/h3-4,6-7H,2,5,8-11H2,1H3,(H2,16,17,19,21)
InChIKeyUUVOCTVOYCAMBB-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.14
Rot. Bonds4

About N-[(2-morpholin-4-ylphenyl)carbamothioyl]butanamide

N-[(2-morpholin-4-ylphenyl)carbamothioyl]butanamide (PubChem CID 833951) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[(2-morpholin-4-ylphenyl)carbamothioyl]butanamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-ylphenyl)carbamothioyl]butanamide
PubChem CID833951
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[(2-morpholin-4-ylphenyl)carbamothioyl]butanamide
SMILESCCCC(=O)NC(=S)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C15H21N3O2S/c1-2-5-14(19)17-15(21)16-12-6-3-4-7-13(12)18-8-10-20-11-9-18/h3-4,6-7H,2,5,8-11H2,1H3,(H2,16,17,19,21)
InChIKeyUUVOCTVOYCAMBB-UHFFFAOYSA-N
XLogP2.14
TPSA53.60 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 ≤ 52.14
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-(Morpholin-4-yl)ethyl)-N-phenylcarbamimidothioic acid
CID 722642
N-phenylmorpholine-4-carbothioamide
CID 668271
2-{4-[(Phenylamino)thioxomethyl]piperazinyl}ethan-1-ol
CID 785529
N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]butanamide
CID 851459
N-(4-chlorobutanoyl)-N'-(4-morpholin-4-ylphenyl)thiourea
CID 1714551
N-(2-fluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 2930103
4-[2-(2-hydroxyethoxy)ethyl]-N-phenylpiperazine-1-carbothioamide
CID 3119956
1-(2-Methyl-2-morpholin-4-ylpropyl)-3-phenylthiourea
CID 4417939
N-(2-fluorophenyl)morpholine-4-carbothioamide
CID 709147
N,N-dimethyl-N'-(4-morpholinophenyl)thiourea
CID 2731347
N-[2-(morpholin-4-yl)phenyl]acetamide
CID 826558
1-(4-Fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 760234

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-ylphenyl)carbamothioyl]butanamide?
The IUPAC name of N-[(2-morpholin-4-ylphenyl)carbamothioyl]butanamide (CID 833951) is N-[(2-morpholin-4-ylphenyl)carbamothioyl]butanamide.
What is the SMILES notation for N-[(2-morpholin-4-ylphenyl)carbamothioyl]butanamide?
The canonical SMILES for N-[(2-morpholin-4-ylphenyl)carbamothioyl]butanamide is CCCC(=O)NC(=S)Nc1ccccc1N1CCOCC1.
What is the InChIKey of N-[(2-morpholin-4-ylphenyl)carbamothioyl]butanamide?
The InChIKey is UUVOCTVOYCAMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-2-5-14(19)17-15(21)16-12-6-3-4-7-13(12)18-8-10-20-11-9-18/h3-4,6-7H,2,5,8-11H2,1H3,(H2,16,17,19,21).
What are the key properties of N-[(2-morpholin-4-ylphenyl)carbamothioyl]butanamide?
N-[(2-morpholin-4-ylphenyl)carbamothioyl]butanamide has a molecular weight of 307.42 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-ylphenyl)carbamothioyl]butanamide is sourced from PubChem (CID 833951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).