N-[(4-chlorophenyl)carbamothioyl]heptanamide

C14H19ClN2OS — CID 54789157

IUPACN-[(4-chlorophenyl)carbamothioyl]heptanamide
SMILESCCCCCCC(=O)NC(=S)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2OS/c1-2-3-4-5-6-13(18)17-14(19)16-12-9-7-11(15)8-10-12/h7-10H,2-6H2,1H3,(H2,16,17,18,19)
InChIKeyVWNUYJQYVZPNPZ-UHFFFAOYSA-N
MW298.84 g/mol
LogP4.12
Rot. Bonds6

About N-[(4-chlorophenyl)carbamothioyl]heptanamide

N-[(4-chlorophenyl)carbamothioyl]heptanamide (PubChem CID 54789157) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)carbamothioyl]heptanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)carbamothioyl]heptanamide
PubChem CID54789157
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC NameN-[(4-chlorophenyl)carbamothioyl]heptanamide
SMILESCCCCCCC(=O)NC(=S)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2OS/c1-2-3-4-5-6-13(18)17-14(19)16-12-9-7-11(15)8-10-12/h7-10H,2-6H2,1H3,(H2,16,17,18,19)
InChIKeyVWNUYJQYVZPNPZ-UHFFFAOYSA-N
XLogP4.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 54.12
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-[(4-chlorophenyl)carbamothioyl]octanamide
CID 4958861
N-[[4-(propanoylamino)phenyl]carbamothioyl]tetradecanamide
CID 54791172
N-[(4-bromophenyl)carbamothioyl]heptanamide
CID 54789223
N-[(4-bromophenyl)carbamothioyl]tetradecanamide
CID 54791999
N-[(4-bromophenyl)carbamothioyl]decanamide
CID 4599509
N-[(4-fluorophenyl)carbamothioyl]tetradecanamide
CID 54792031
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-[(4-acetylphenyl)carbamothioyl]tetradecanamide
CID 54791973
N-[(4-acetamidophenyl)carbamothioyl]pentanamide
CID 4925620
N-[(4-cyanophenyl)carbamothioyl]octanamide
CID 4958873
N-[(4-ethoxyphenyl)carbamothioyl]tetradecanamide
CID 54791972
N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]hexanamide
CID 17100521

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)carbamothioyl]heptanamide?
The IUPAC name of N-[(4-chlorophenyl)carbamothioyl]heptanamide (CID 54789157) is N-[(4-chlorophenyl)carbamothioyl]heptanamide.
What is the SMILES notation for N-[(4-chlorophenyl)carbamothioyl]heptanamide?
The canonical SMILES for N-[(4-chlorophenyl)carbamothioyl]heptanamide is CCCCCCC(=O)NC(=S)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)carbamothioyl]heptanamide?
The InChIKey is VWNUYJQYVZPNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-2-3-4-5-6-13(18)17-14(19)16-12-9-7-11(15)8-10-12/h7-10H,2-6H2,1H3,(H2,16,17,18,19).
What are the key properties of N-[(4-chlorophenyl)carbamothioyl]heptanamide?
N-[(4-chlorophenyl)carbamothioyl]heptanamide has a molecular weight of 298.84 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)carbamothioyl]heptanamide is sourced from PubChem (CID 54789157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).