N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]butanamide

C15H20ClN3O2S — CID 4287113

IUPACN-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]butanamide
SMILESCCCC(=O)NC(=S)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C15H20ClN3O2S/c1-2-3-14(20)18-15(22)17-12-10-11(16)4-5-13(12)19-6-8-21-9-7-19/h4-5,10H,2-3,6-9H2,1H3,(H2,17,18,20,22)
InChIKeyHZSFWYZKTNHFPN-UHFFFAOYSA-N
MW341.86 g/mol
LogP2.79
Rot. Bonds4

About N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]butanamide

N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]butanamide (PubChem CID 4287113) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]butanamide.

Molecular Properties

Compound NameN-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]butanamide
PubChem CID4287113
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC NameN-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]butanamide
SMILESCCCC(=O)NC(=S)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C15H20ClN3O2S/c1-2-3-14(20)18-15(22)17-12-10-11(16)4-5-13(12)19-6-8-21-9-7-19/h4-5,10H,2-3,6-9H2,1H3,(H2,17,18,20,22)
InChIKeyHZSFWYZKTNHFPN-UHFFFAOYSA-N
XLogP2.79
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 52.79
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-chloro-4-morpholin-4-ylphenyl)carbamothioyl]butanamide
CID 823754
N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2-methylpropanamide
CID 3961026
N-[[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]carbamothioyl]propanamide
CID 17091961
N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-4-iodobenzamide
CID 3297915
1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea
CID 47103076
N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2-methoxy-3-methylbenzamide
CID 1257332
2-(4-chlorophenyl)-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide
CID 979258
N-[[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]carbamothioyl]-2,2-dimethylpropanamide
CID 17091965
N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 3956837
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 1094305
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
CID 134064794
N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-methylbutanamide
CID 5041577

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]butanamide?
The IUPAC name of N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]butanamide (CID 4287113) is N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]butanamide.
What is the SMILES notation for N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]butanamide?
The canonical SMILES for N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]butanamide is CCCC(=O)NC(=S)Nc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]butanamide?
The InChIKey is HZSFWYZKTNHFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S/c1-2-3-14(20)18-15(22)17-12-10-11(16)4-5-13(12)19-6-8-21-9-7-19/h4-5,10H,2-3,6-9H2,1H3,(H2,17,18,20,22).
What are the key properties of N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]butanamide?
N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]butanamide has a molecular weight of 341.86 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]butanamide is sourced from PubChem (CID 4287113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).