N-[(4-acetamidophenyl)carbamothioyl]pentanamide

C14H19N3O2S — CID 4925620

IUPACN-[(4-acetamidophenyl)carbamothioyl]pentanamide
SMILESCCCCC(=O)NC(=S)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H19N3O2S/c1-3-4-5-13(19)17-14(20)16-12-8-6-11(7-9-12)15-10(2)18/h6-9H,3-5H2,1-2H3,(H,15,18)(H2,16,17,19,20)
InChIKeyAQNNIGUTAGRCPE-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.65
Rot. Bonds5

About N-[(4-acetamidophenyl)carbamothioyl]pentanamide

N-[(4-acetamidophenyl)carbamothioyl]pentanamide (PubChem CID 4925620) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)carbamothioyl]pentanamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)carbamothioyl]pentanamide
PubChem CID4925620
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[(4-acetamidophenyl)carbamothioyl]pentanamide
SMILESCCCCC(=O)NC(=S)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H19N3O2S/c1-3-4-5-13(19)17-14(20)16-12-8-6-11(7-9-12)15-10(2)18/h6-9H,3-5H2,1-2H3,(H,15,18)(H2,16,17,19,20)
InChIKeyAQNNIGUTAGRCPE-UHFFFAOYSA-N
XLogP2.65
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-acetylphenyl)carbamothioyl]tetradecanamide
CID 54791973
methyl 4-(pentanoylcarbamothioylamino)benzoate
CID 4925700
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)carbamothioyl]octanamide
CID 4958861
N-[(4-chlorophenyl)carbamothioyl]heptanamide
CID 54789157
N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-4-chlorobutanamide
CID 4659446
N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]hexanamide
CID 17100521
N-[(4-anilinophenyl)carbamothioyl]hexanamide
CID 4954014

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)carbamothioyl]pentanamide?
The IUPAC name of N-[(4-acetamidophenyl)carbamothioyl]pentanamide (CID 4925620) is N-[(4-acetamidophenyl)carbamothioyl]pentanamide.
What is the SMILES notation for N-[(4-acetamidophenyl)carbamothioyl]pentanamide?
The canonical SMILES for N-[(4-acetamidophenyl)carbamothioyl]pentanamide is CCCCC(=O)NC(=S)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)carbamothioyl]pentanamide?
The InChIKey is AQNNIGUTAGRCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-4-5-13(19)17-14(20)16-12-8-6-11(7-9-12)15-10(2)18/h6-9H,3-5H2,1-2H3,(H,15,18)(H2,16,17,19,20).
What are the key properties of N-[(4-acetamidophenyl)carbamothioyl]pentanamide?
N-[(4-acetamidophenyl)carbamothioyl]pentanamide has a molecular weight of 293.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)carbamothioyl]pentanamide is sourced from PubChem (CID 4925620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).