N-[(4-anilinophenyl)carbamothioyl]hexanamide

C19H23N3OS — CID 4954014

IUPACN-[(4-anilinophenyl)carbamothioyl]hexanamide
SMILESCCCCCC(=O)NC(=S)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H23N3OS/c1-2-3-5-10-18(23)22-19(24)21-17-13-11-16(12-14-17)20-15-8-6-4-7-9-15/h4,6-9,11-14,20H,2-3,5,10H2,1H3,(H2,21,22,23,24)
InChIKeyDMJPSQNGOVEPNC-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.82
Rot. Bonds7

About N-[(4-anilinophenyl)carbamothioyl]hexanamide

N-[(4-anilinophenyl)carbamothioyl]hexanamide (PubChem CID 4954014) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[(4-anilinophenyl)carbamothioyl]hexanamide.

Molecular Properties

Compound NameN-[(4-anilinophenyl)carbamothioyl]hexanamide
PubChem CID4954014
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC NameN-[(4-anilinophenyl)carbamothioyl]hexanamide
SMILESCCCCCC(=O)NC(=S)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H23N3OS/c1-2-3-5-10-18(23)22-19(24)21-17-13-11-16(12-14-17)20-15-8-6-4-7-9-15/h4,6-9,11-14,20H,2-3,5,10H2,1H3,(H2,21,22,23,24)
InChIKeyDMJPSQNGOVEPNC-UHFFFAOYSA-N
XLogP4.82
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.82
H-Bond Donors ≤ 53
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

N-[(4-anilinophenyl)carbamothioyl]butanamide
CID 916622
N-[[4-(propanoylamino)phenyl]carbamothioyl]tetradecanamide
CID 54791172
N-[(4-acetamidophenyl)carbamothioyl]pentanamide
CID 4925620
N-[3-(pentanoylcarbamothioylamino)phenyl]hexanamide
CID 26161880
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)carbamothioyl]octanamide
CID 4958861
N-[(4-chlorophenyl)carbamothioyl]heptanamide
CID 54789157
N-[4-(hexanoylcarbamothioylamino)phenyl]-2-methylbenzamide
CID 17251791
N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]hexanamide
CID 17100521

Frequently Asked Questions

What is the IUPAC name of N-[(4-anilinophenyl)carbamothioyl]hexanamide?
The IUPAC name of N-[(4-anilinophenyl)carbamothioyl]hexanamide (CID 4954014) is N-[(4-anilinophenyl)carbamothioyl]hexanamide.
What is the SMILES notation for N-[(4-anilinophenyl)carbamothioyl]hexanamide?
The canonical SMILES for N-[(4-anilinophenyl)carbamothioyl]hexanamide is CCCCCC(=O)NC(=S)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-[(4-anilinophenyl)carbamothioyl]hexanamide?
The InChIKey is DMJPSQNGOVEPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-2-3-5-10-18(23)22-19(24)21-17-13-11-16(12-14-17)20-15-8-6-4-7-9-15/h4,6-9,11-14,20H,2-3,5,10H2,1H3,(H2,21,22,23,24).
What are the key properties of N-[(4-anilinophenyl)carbamothioyl]hexanamide?
N-[(4-anilinophenyl)carbamothioyl]hexanamide has a molecular weight of 341.48 g/mol, XLogP of 4.82, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-anilinophenyl)carbamothioyl]hexanamide is sourced from PubChem (CID 4954014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).