N-[(2,4-dimethylphenyl)carbamothioyl]heptanamide

C16H24N2OS — CID 54789192

IUPACN-[(2,4-dimethylphenyl)carbamothioyl]heptanamide
SMILESCCCCCCC(=O)NC(=S)Nc1ccc(C)cc1C
InChIInChI=1S/C16H24N2OS/c1-4-5-6-7-8-15(19)18-16(20)17-14-10-9-12(2)11-13(14)3/h9-11H,4-8H2,1-3H3,(H2,17,18,19,20)
InChIKeyXPYNHRFZKGPTHT-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.09
Rot. Bonds6

About N-[(2,4-dimethylphenyl)carbamothioyl]heptanamide

N-[(2,4-dimethylphenyl)carbamothioyl]heptanamide (PubChem CID 54789192) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)carbamothioyl]heptanamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)carbamothioyl]heptanamide
PubChem CID54789192
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[(2,4-dimethylphenyl)carbamothioyl]heptanamide
SMILESCCCCCCC(=O)NC(=S)Nc1ccc(C)cc1C
InChIInChI=1S/C16H24N2OS/c1-4-5-6-7-8-15(19)18-16(20)17-14-10-9-12(2)11-13(14)3/h9-11H,4-8H2,1-3H3,(H2,17,18,19,20)
InChIKeyXPYNHRFZKGPTHT-UHFFFAOYSA-N
XLogP4.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-[(2-bromo-4-methylphenyl)carbamothioyl]hexanamide
CID 54784813
N-[(2,4-dimethylphenyl)carbamothioyl]propanamide
CID 3777928
N-[(2-methyl-4-nitrophenyl)carbamothioyl]heptanamide
CID 54788937
5-[2-(hexanoylcarbamothioylamino)-4-methylphenyl]furan-2-carboxylic acid
CID 91687758
N-[(5-chloro-2-methylphenyl)carbamothioyl]pentanamide
CID 19187754
N-(naphthalen-1-ylcarbamothioyl)undecanamide
CID 166518646
N-[4-[4-(heptanoylamino)-3-methylphenyl]-2-methylphenyl]heptanamide
CID 4180295
N-(2,4-dimethylphenyl)-4-(hexanoylamino)benzamide
CID 3645447
N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]hexanamide
CID 4954150
5-chloro-2-(hexanoylcarbamothioylamino)benzoic acid
CID 3474363
N-[(2,4-dinitrophenyl)carbamothioyl]tetradecanamide
CID 151836057
N-[(2,4-dichlorophenyl)carbamothioyl]pentanamide
CID 4925626

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)carbamothioyl]heptanamide?
The IUPAC name of N-[(2,4-dimethylphenyl)carbamothioyl]heptanamide (CID 54789192) is N-[(2,4-dimethylphenyl)carbamothioyl]heptanamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)carbamothioyl]heptanamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)carbamothioyl]heptanamide is CCCCCCC(=O)NC(=S)Nc1ccc(C)cc1C.
What is the InChIKey of N-[(2,4-dimethylphenyl)carbamothioyl]heptanamide?
The InChIKey is XPYNHRFZKGPTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-4-5-6-7-8-15(19)18-16(20)17-14-10-9-12(2)11-13(14)3/h9-11H,4-8H2,1-3H3,(H2,17,18,19,20).
What are the key properties of N-[(2,4-dimethylphenyl)carbamothioyl]heptanamide?
N-[(2,4-dimethylphenyl)carbamothioyl]heptanamide has a molecular weight of 292.45 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)carbamothioyl]heptanamide is sourced from PubChem (CID 54789192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).