N-(benzamidocarbamothioyl)-3-propoxybenzamide

C18H19N3O3S — CID 4960455

IUPACN-(benzamidocarbamothioyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2)c1
InChIInChI=1S/C18H19N3O3S/c1-2-11-24-15-10-6-9-14(12-15)16(22)19-18(25)21-20-17(23)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3,(H,20,23)(H2,19,21,22,25)
InChIKeyDSWRQQCQMGIACW-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.42
Rot. Bonds5

About N-(benzamidocarbamothioyl)-3-propoxybenzamide

N-(benzamidocarbamothioyl)-3-propoxybenzamide (PubChem CID 4960455) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(benzamidocarbamothioyl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(benzamidocarbamothioyl)-3-propoxybenzamide
PubChem CID4960455
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(benzamidocarbamothioyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2)c1
InChIInChI=1S/C18H19N3O3S/c1-2-11-24-15-10-6-9-14(12-15)16(22)19-18(25)21-20-17(23)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3,(H,20,23)(H2,19,21,22,25)
InChIKeyDSWRQQCQMGIACW-UHFFFAOYSA-N
XLogP2.42
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'-benzoyl-3-propoxybenzohydrazide
CID 4960188
N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 4955441
N-[[(3-methylbenzoyl)amino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 4955383
N-[[(4-phenylbenzoyl)amino]carbamothioyl]-4-propoxybenzamide
CID 4939052
N-phenyl-3-[(3-propoxybenzoyl)carbamothioylamino]benzamide
CID 54781287
3-butoxy-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]benzamide
CID 4957276
N-[[[2-(4-chlorophenoxy)acetyl]amino]carbamothioyl]-3-propoxybenzamide
CID 4960426
3-(2-phenylethoxy)-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 17134886
3-ethoxy-N-[[(4-methoxybenzoyl)amino]carbamothioyl]benzamide
CID 4957781
3-butoxy-N-[[(2-methoxybenzoyl)amino]carbamothioyl]benzamide
CID 4957325
N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide
CID 4955128
N-[(3-ethoxypropanoylamino)carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 17358062

Frequently Asked Questions

What is the IUPAC name of N-(benzamidocarbamothioyl)-3-propoxybenzamide?
The IUPAC name of N-(benzamidocarbamothioyl)-3-propoxybenzamide (CID 4960455) is N-(benzamidocarbamothioyl)-3-propoxybenzamide.
What is the SMILES notation for N-(benzamidocarbamothioyl)-3-propoxybenzamide?
The canonical SMILES for N-(benzamidocarbamothioyl)-3-propoxybenzamide is CCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2)c1.
What is the InChIKey of N-(benzamidocarbamothioyl)-3-propoxybenzamide?
The InChIKey is DSWRQQCQMGIACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-2-11-24-15-10-6-9-14(12-15)16(22)19-18(25)21-20-17(23)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3,(H,20,23)(H2,19,21,22,25).
What are the key properties of N-(benzamidocarbamothioyl)-3-propoxybenzamide?
N-(benzamidocarbamothioyl)-3-propoxybenzamide has a molecular weight of 357.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzamidocarbamothioyl)-3-propoxybenzamide is sourced from PubChem (CID 4960455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).