N-[(5-chloro-2-methylphenyl)carbamothioyl]pentanamide

C13H17ClN2OS — CID 19187754

IUPACN-[(5-chloro-2-methylphenyl)carbamothioyl]pentanamide
SMILESCCCCC(=O)NC(=S)Nc1cc(Cl)ccc1C
InChIInChI=1S/C13H17ClN2OS/c1-3-4-5-12(17)16-13(18)15-11-8-10(14)7-6-9(11)2/h6-8H,3-5H2,1-2H3,(H2,15,16,17,18)
InChIKeyFHKMNBBOGLZZKZ-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.65
Rot. Bonds4

About N-[(5-chloro-2-methylphenyl)carbamothioyl]pentanamide

N-[(5-chloro-2-methylphenyl)carbamothioyl]pentanamide (PubChem CID 19187754) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is N-[(5-chloro-2-methylphenyl)carbamothioyl]pentanamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methylphenyl)carbamothioyl]pentanamide
PubChem CID19187754
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC NameN-[(5-chloro-2-methylphenyl)carbamothioyl]pentanamide
SMILESCCCCC(=O)NC(=S)Nc1cc(Cl)ccc1C
InChIInChI=1S/C13H17ClN2OS/c1-3-4-5-12(17)16-13(18)15-11-8-10(14)7-6-9(11)2/h6-8H,3-5H2,1-2H3,(H2,15,16,17,18)
InChIKeyFHKMNBBOGLZZKZ-UHFFFAOYSA-N
XLogP3.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.65
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]-4-(4-chlorophenoxy)butanamide
CID 19188880
N-[(2,4-dichlorophenyl)carbamothioyl]pentanamide
CID 4925626
ethyl 4-[(5-chloro-2-methylphenyl)carbamothioylamino]-4-oxobutanoate
CID 4937758
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]pentanamide
CID 112997994
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
5-chloro-2-(hexanoylcarbamothioylamino)benzoic acid
CID 3474363
1-(5-chloro-2-methylphenyl)-3-propylthiourea
CID 6992117
(E)-N-[(5-chloro-2-methylphenyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide
CID 17195740
N-[(4-chlorophenyl)carbamothioyl]octanamide
CID 4958861
N-[(4-chlorophenyl)carbamothioyl]heptanamide
CID 54789157
N-[(2,4-dimethylphenyl)carbamothioyl]heptanamide
CID 54789192
N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide
CID 60841323

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methylphenyl)carbamothioyl]pentanamide?
The IUPAC name of N-[(5-chloro-2-methylphenyl)carbamothioyl]pentanamide (CID 19187754) is N-[(5-chloro-2-methylphenyl)carbamothioyl]pentanamide.
What is the SMILES notation for N-[(5-chloro-2-methylphenyl)carbamothioyl]pentanamide?
The canonical SMILES for N-[(5-chloro-2-methylphenyl)carbamothioyl]pentanamide is CCCCC(=O)NC(=S)Nc1cc(Cl)ccc1C.
What is the InChIKey of N-[(5-chloro-2-methylphenyl)carbamothioyl]pentanamide?
The InChIKey is FHKMNBBOGLZZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c1-3-4-5-12(17)16-13(18)15-11-8-10(14)7-6-9(11)2/h6-8H,3-5H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-[(5-chloro-2-methylphenyl)carbamothioyl]pentanamide?
N-[(5-chloro-2-methylphenyl)carbamothioyl]pentanamide has a molecular weight of 284.81 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methylphenyl)carbamothioyl]pentanamide is sourced from PubChem (CID 19187754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).