N-(2-carbamothioyl-3-fluorophenyl)-2-propylpentanamide

C15H21FN2OS — CID 82985432

IUPACN-(2-carbamothioyl-3-fluorophenyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cccc(F)c1C(N)=S
InChIInChI=1S/C15H21FN2OS/c1-3-6-10(7-4-2)15(19)18-12-9-5-8-11(16)13(12)14(17)20/h5,8-10H,3-4,6-7H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyUTKRLAYOUCXQLG-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.61
Rot. Bonds7

About N-(2-carbamothioyl-3-fluorophenyl)-2-propylpentanamide

N-(2-carbamothioyl-3-fluorophenyl)-2-propylpentanamide (PubChem CID 82985432) has the molecular formula C15H21FN2OS and a molecular weight of 296.41 g/mol. Its IUPAC name is N-(2-carbamothioyl-3-fluorophenyl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-3-fluorophenyl)-2-propylpentanamide
PubChem CID82985432
Molecular FormulaC15H21FN2OS
Molecular Weight296.41 g/mol
Exact Mass296.14
IUPAC NameN-(2-carbamothioyl-3-fluorophenyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cccc(F)c1C(N)=S
InChIInChI=1S/C15H21FN2OS/c1-3-6-10(7-4-2)15(19)18-12-9-5-8-11(16)13(12)14(17)20/h5,8-10H,3-4,6-7H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyUTKRLAYOUCXQLG-UHFFFAOYSA-N
XLogP3.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.61
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-(2-carbamothioyl-3-fluorophenyl)-2-methylsulfonylpropanamide
CID 104519330
N-(2-carbamothioyl-3-fluorophenyl)-2-cyclopropylpropanamide
CID 83154703
1-tert-butyl-3-(2-carbamothioyl-3-fluorophenyl)urea
CID 43581015
2-(2-ethylhexanoylamino)-6-fluorobenzoic acid
CID 43442827
1-(2-carbamothioyl-3-fluorophenyl)-3-(4-fluorophenyl)urea
CID 43581005
N-(2-carbamothioyl-3-fluorophenyl)-3-methylbenzamide
CID 43580937
N-(2-carbamothioyl-3-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343600
2-[(2-carbamoyl-3-fluoroanilino)methyl]pentanoic acid
CID 79513291
N-(2-carbamothioyl-3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602650
N-(2-carbamothioyl-3-fluorophenyl)-5-ethylfuran-2-carboxamide
CID 79094126
N-(2-carbamothioyl-3-fluorophenyl)cyclopropanecarboxamide
CID 43580877
2-fluoro-6-(pentylamino)benzenecarbothioamide
CID 79513321

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-3-fluorophenyl)-2-propylpentanamide?
The IUPAC name of N-(2-carbamothioyl-3-fluorophenyl)-2-propylpentanamide (CID 82985432) is N-(2-carbamothioyl-3-fluorophenyl)-2-propylpentanamide.
What is the SMILES notation for N-(2-carbamothioyl-3-fluorophenyl)-2-propylpentanamide?
The canonical SMILES for N-(2-carbamothioyl-3-fluorophenyl)-2-propylpentanamide is CCCC(CCC)C(=O)Nc1cccc(F)c1C(N)=S.
What is the InChIKey of N-(2-carbamothioyl-3-fluorophenyl)-2-propylpentanamide?
The InChIKey is UTKRLAYOUCXQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2OS/c1-3-6-10(7-4-2)15(19)18-12-9-5-8-11(16)13(12)14(17)20/h5,8-10H,3-4,6-7H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of N-(2-carbamothioyl-3-fluorophenyl)-2-propylpentanamide?
N-(2-carbamothioyl-3-fluorophenyl)-2-propylpentanamide has a molecular weight of 296.41 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-3-fluorophenyl)-2-propylpentanamide is sourced from PubChem (CID 82985432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).