N-(benzamidocarbamothioyl)pentanamide

C13H17N3O2S — CID 4925808

IUPACN-(benzamidocarbamothioyl)pentanamide
SMILESCCCCC(=O)NC(=S)NNC(=O)c1ccccc1
InChIInChI=1S/C13H17N3O2S/c1-2-3-9-11(17)14-13(19)16-15-12(18)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,15,18)(H2,14,16,17,19)
InChIKeyHLOOSLDUCLXPMG-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.51
Rot. Bonds4

About N-(benzamidocarbamothioyl)pentanamide

N-(benzamidocarbamothioyl)pentanamide (PubChem CID 4925808) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(benzamidocarbamothioyl)pentanamide.

Molecular Properties

Compound NameN-(benzamidocarbamothioyl)pentanamide
PubChem CID4925808
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC NameN-(benzamidocarbamothioyl)pentanamide
SMILESCCCCC(=O)NC(=S)NNC(=O)c1ccccc1
InChIInChI=1S/C13H17N3O2S/c1-2-3-9-11(17)14-13(19)16-15-12(18)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,15,18)(H2,14,16,17,19)
InChIKeyHLOOSLDUCLXPMG-UHFFFAOYSA-N
XLogP1.51
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[(4-methylbenzoyl)amino]carbamothioyl]octanamide
CID 4959033
N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]pentanamide
CID 4925761
N'-octanoylbenzohydrazide
CID 4227469
N'-heptanoylbenzohydrazide
CID 4218130
N'-nonanoylbenzohydrazide
CID 5163159
N-[(3-phenylpropanoylamino)carbamothioyl]pentanamide
CID 2301863
N-[[(4-anilino-4-oxobutanoyl)amino]carbamothioyl]pentanamide
CID 4543574
N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]pentanamide
CID 2224963
N-[[(4-methylbenzoyl)amino]carbamothioyl]-3-phenylpropanamide
CID 3555573
N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]hexanamide
CID 4954207
ethyl 4-(benzamidocarbamothioylamino)-4-oxobut-2-enoate
CID 3489168
N-[(hexanoylamino)carbamothioyl]pentanamide
CID 4955659

Frequently Asked Questions

What is the IUPAC name of N-(benzamidocarbamothioyl)pentanamide?
The IUPAC name of N-(benzamidocarbamothioyl)pentanamide (CID 4925808) is N-(benzamidocarbamothioyl)pentanamide.
What is the SMILES notation for N-(benzamidocarbamothioyl)pentanamide?
The canonical SMILES for N-(benzamidocarbamothioyl)pentanamide is CCCCC(=O)NC(=S)NNC(=O)c1ccccc1.
What is the InChIKey of N-(benzamidocarbamothioyl)pentanamide?
The InChIKey is HLOOSLDUCLXPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-2-3-9-11(17)14-13(19)16-15-12(18)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,15,18)(H2,14,16,17,19).
What are the key properties of N-(benzamidocarbamothioyl)pentanamide?
N-(benzamidocarbamothioyl)pentanamide has a molecular weight of 279.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzamidocarbamothioyl)pentanamide is sourced from PubChem (CID 4925808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).