N-(butylcarbamothioyl)-4-(2,4-dichlorophenoxy)butanamide

C15H20Cl2N2O2S — CID 17143014

IUPACN-(butylcarbamothioyl)-4-(2,4-dichlorophenoxy)butanamide
SMILESCCCCNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O2S/c1-2-3-8-18-15(22)19-14(20)5-4-9-21-13-7-6-11(16)10-12(13)17/h6-7,10H,2-5,8-9H2,1H3,(H2,18,19,20,22)
InChIKeyLNLPELIRRNTOLV-UHFFFAOYSA-N
MW363.31 g/mol
LogP3.94
Rot. Bonds8

About N-(butylcarbamothioyl)-4-(2,4-dichlorophenoxy)butanamide

N-(butylcarbamothioyl)-4-(2,4-dichlorophenoxy)butanamide (PubChem CID 17143014) has the molecular formula C15H20Cl2N2O2S and a molecular weight of 363.31 g/mol. Its IUPAC name is N-(butylcarbamothioyl)-4-(2,4-dichlorophenoxy)butanamide.

Molecular Properties

Compound NameN-(butylcarbamothioyl)-4-(2,4-dichlorophenoxy)butanamide
PubChem CID17143014
Molecular FormulaC15H20Cl2N2O2S
Molecular Weight363.31 g/mol
Exact Mass362.06
IUPAC NameN-(butylcarbamothioyl)-4-(2,4-dichlorophenoxy)butanamide
SMILESCCCCNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O2S/c1-2-3-8-18-15(22)19-14(20)5-4-9-21-13-7-6-11(16)10-12(13)17/h6-7,10H,2-5,8-9H2,1H3,(H2,18,19,20,22)
InChIKeyLNLPELIRRNTOLV-UHFFFAOYSA-N
XLogP3.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dichlorophenoxy)-N-(heptylcarbamothioyl)butanamide
CID 3253432
4-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)butanamide
CID 19188450
4-(2,4-dichlorophenoxy)-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]butanamide
CID 54777247
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
N-[(3-butoxyphenyl)carbamothioyl]-4-(2,4-dichlorophenoxy)butanamide
CID 17095167
propyl 4-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioylamino]-4-oxobutanoate
CID 4933729
butyl 4-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]benzoate
CID 19188471
N-[(2,4-dichlorophenyl)methylcarbamothioyl]pentanamide
CID 46762734
4-(2,4-dichlorophenoxy)-N-[(2,6-dichlorophenyl)carbamothioyl]butanamide
CID 54785867
4-(2,4-dichlorophenoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]butanamide
CID 3247611
4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
CID 2227549
2-chloro-N-[3-(2,4-dichlorophenoxy)propylcarbamothioyl]benzamide
CID 134095574

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamothioyl)-4-(2,4-dichlorophenoxy)butanamide?
The IUPAC name of N-(butylcarbamothioyl)-4-(2,4-dichlorophenoxy)butanamide (CID 17143014) is N-(butylcarbamothioyl)-4-(2,4-dichlorophenoxy)butanamide.
What is the SMILES notation for N-(butylcarbamothioyl)-4-(2,4-dichlorophenoxy)butanamide?
The canonical SMILES for N-(butylcarbamothioyl)-4-(2,4-dichlorophenoxy)butanamide is CCCCNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(butylcarbamothioyl)-4-(2,4-dichlorophenoxy)butanamide?
The InChIKey is LNLPELIRRNTOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2S/c1-2-3-8-18-15(22)19-14(20)5-4-9-21-13-7-6-11(16)10-12(13)17/h6-7,10H,2-5,8-9H2,1H3,(H2,18,19,20,22).
What are the key properties of N-(butylcarbamothioyl)-4-(2,4-dichlorophenoxy)butanamide?
N-(butylcarbamothioyl)-4-(2,4-dichlorophenoxy)butanamide has a molecular weight of 363.31 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamothioyl)-4-(2,4-dichlorophenoxy)butanamide is sourced from PubChem (CID 17143014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).