N-[(2,4-dichlorophenyl)carbamothioyl]pentanamide

C12H14Cl2N2OS — CID 4925626

IUPACN-[(2,4-dichlorophenyl)carbamothioyl]pentanamide
SMILESCCCCC(=O)NC(=S)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2OS/c1-2-3-4-11(17)16-12(18)15-10-6-5-8(13)7-9(10)14/h5-7H,2-4H2,1H3,(H2,15,16,17,18)
InChIKeyJHWRAGLZICCZER-UHFFFAOYSA-N
MW305.23 g/mol
LogP4.00
Rot. Bonds4

About N-[(2,4-dichlorophenyl)carbamothioyl]pentanamide

N-[(2,4-dichlorophenyl)carbamothioyl]pentanamide (PubChem CID 4925626) has the molecular formula C12H14Cl2N2OS and a molecular weight of 305.23 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)carbamothioyl]pentanamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)carbamothioyl]pentanamide
PubChem CID4925626
Molecular FormulaC12H14Cl2N2OS
Molecular Weight305.23 g/mol
Exact Mass304.02
IUPAC NameN-[(2,4-dichlorophenyl)carbamothioyl]pentanamide
SMILESCCCCC(=O)NC(=S)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2OS/c1-2-3-4-11(17)16-12(18)15-10-6-5-8(13)7-9(10)14/h5-7H,2-4H2,1H3,(H2,15,16,17,18)
InChIKeyJHWRAGLZICCZER-UHFFFAOYSA-N
XLogP4.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chloro-2-methylphenyl)carbamothioyl]pentanamide
CID 19187754
5-chloro-2-(hexanoylcarbamothioylamino)benzoic acid
CID 3474363
N-[(2,4-dichlorophenyl)methylcarbamothioyl]pentanamide
CID 46762734
1-(2,4-dichlorophenyl)-3-octylthiourea
CID 17262672
N-[(4-chlorophenyl)carbamothioyl]octanamide
CID 4958861
N-[(4-chlorophenyl)carbamothioyl]heptanamide
CID 54789157
N-[(4-bromo-2-fluorophenyl)carbamothioyl]pentanamide
CID 17100465
1-(2,4-dichlorophenyl)-3-propylthiourea
CID 2281624
2-cyclopentyl-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide
CID 54786307
1-(2,4-dichlorophenyl)-3-(3-methylbutanoylamino)thiourea
CID 47102452
(E)-3-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)carbamothioyl]prop-2-enamide
CID 2209824
N-(2,4-dichlorophenyl)propanamide
CID 923083

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)carbamothioyl]pentanamide?
The IUPAC name of N-[(2,4-dichlorophenyl)carbamothioyl]pentanamide (CID 4925626) is N-[(2,4-dichlorophenyl)carbamothioyl]pentanamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)carbamothioyl]pentanamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)carbamothioyl]pentanamide is CCCCC(=O)NC(=S)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)carbamothioyl]pentanamide?
The InChIKey is JHWRAGLZICCZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2OS/c1-2-3-4-11(17)16-12(18)15-10-6-5-8(13)7-9(10)14/h5-7H,2-4H2,1H3,(H2,15,16,17,18).
What are the key properties of N-[(2,4-dichlorophenyl)carbamothioyl]pentanamide?
N-[(2,4-dichlorophenyl)carbamothioyl]pentanamide has a molecular weight of 305.23 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)carbamothioyl]pentanamide is sourced from PubChem (CID 4925626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).