N-(benzamidocarbamothioyl)-4-butan-2-yloxybenzamide

C19H21N3O3S — CID 17141736

IUPACN-(benzamidocarbamothioyl)-4-butan-2-yloxybenzamide
SMILESCCC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H21N3O3S/c1-3-13(2)25-16-11-9-15(10-12-16)17(23)20-19(26)22-21-18(24)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,21,24)(H2,20,22,23,26)
InChIKeyYBAFZIYEZPKZBC-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.81
Rot. Bonds5

About N-(benzamidocarbamothioyl)-4-butan-2-yloxybenzamide

N-(benzamidocarbamothioyl)-4-butan-2-yloxybenzamide (PubChem CID 17141736) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(benzamidocarbamothioyl)-4-butan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(benzamidocarbamothioyl)-4-butan-2-yloxybenzamide
PubChem CID17141736
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-(benzamidocarbamothioyl)-4-butan-2-yloxybenzamide
SMILESCCC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H21N3O3S/c1-3-13(2)25-16-11-9-15(10-12-16)17(23)20-19(26)22-21-18(24)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,21,24)(H2,20,22,23,26)
InChIKeyYBAFZIYEZPKZBC-UHFFFAOYSA-N
XLogP2.81
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.81
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'}

Analyze N-(benzamidocarbamothioyl)-4-butan-2-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butan-2-yloxy-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 17141775
4-butan-2-yloxy-N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 17141755
3-[(2S)-butan-2-yl]oxy-N-[[(4-chlorobenzoyl)amino]carbamothioyl]benzamide
CID 40614004
4-[(2R)-butan-2-yl]oxy-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide
CID 40628567
4-butan-2-yloxy-N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]benzamide
CID 17141739
2-[(4-butan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 2937350
3-butan-2-yloxy-N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]benzamide
CID 17150253
4-butan-2-yloxy-N'-(2-phenylacetyl)benzohydrazide
CID 17141392
3-butan-2-yloxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide
CID 17150207
2-[[4-[(2S)-butan-2-yl]oxybenzoyl]carbamothioylamino]benzoate
CID 7278917
4-butan-2-yloxy-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17141641
4-butan-2-yloxy-N-[(4-phenyldiazenylphenyl)carbamothioyl]benzamide
CID 17141680

Frequently Asked Questions

What is the IUPAC name of N-(benzamidocarbamothioyl)-4-butan-2-yloxybenzamide?
The IUPAC name of N-(benzamidocarbamothioyl)-4-butan-2-yloxybenzamide (CID 17141736) is N-(benzamidocarbamothioyl)-4-butan-2-yloxybenzamide.
What is the SMILES notation for N-(benzamidocarbamothioyl)-4-butan-2-yloxybenzamide?
The canonical SMILES for N-(benzamidocarbamothioyl)-4-butan-2-yloxybenzamide is CCC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzamidocarbamothioyl)-4-butan-2-yloxybenzamide?
The InChIKey is YBAFZIYEZPKZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-3-13(2)25-16-11-9-15(10-12-16)17(23)20-19(26)22-21-18(24)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,21,24)(H2,20,22,23,26).
What are the key properties of N-(benzamidocarbamothioyl)-4-butan-2-yloxybenzamide?
N-(benzamidocarbamothioyl)-4-butan-2-yloxybenzamide has a molecular weight of 371.46 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzamidocarbamothioyl)-4-butan-2-yloxybenzamide is sourced from PubChem (CID 17141736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).