3-butan-2-yloxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide

C20H23N3O3S — CID 17150207

IUPAC3-butan-2-yloxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide
SMILESCCC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)Cc2ccccc2)c1
InChIInChI=1S/C20H23N3O3S/c1-3-14(2)26-17-11-7-10-16(13-17)19(25)21-20(27)23-22-18(24)12-15-8-5-4-6-9-15/h4-11,13-14H,3,12H2,1-2H3,(H,22,24)(H2,21,23,25,27)
InChIKeyHZUMAJRMTUSKJE-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.74
Rot. Bonds6

About 3-butan-2-yloxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide

3-butan-2-yloxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide (PubChem CID 17150207) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide.

Molecular Properties

Compound Name3-butan-2-yloxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide
PubChem CID17150207
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name3-butan-2-yloxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide
SMILESCCC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)Cc2ccccc2)c1
InChIInChI=1S/C20H23N3O3S/c1-3-14(2)26-17-11-7-10-16(13-17)19(25)21-20(27)23-22-18(24)12-15-8-5-4-6-9-15/h4-11,13-14H,3,12H2,1-2H3,(H,22,24)(H2,21,23,25,27)
InChIKeyHZUMAJRMTUSKJE-UHFFFAOYSA-N
XLogP2.74
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.74
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-(benzylcarbamothioyl)-3-butan-2-yloxybenzamide
CID 17150022
3-butan-2-yloxy-N-(2-phenylethylcarbamothioyl)benzamide
CID 17149973
3-[(2S)-butan-2-yl]oxy-N-[[(4-chlorobenzoyl)amino]carbamothioyl]benzamide
CID 40614004
N-(benzamidocarbamothioyl)-4-butan-2-yloxybenzamide
CID 17141736
3-butan-2-yloxy-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 17150185
3-butan-2-yloxy-N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]benzamide
CID 17150253
2-[(3-butan-2-yloxybenzoyl)carbamothioylamino]-N-phenylbenzamide
CID 17150000
N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-3-butan-2-yloxybenzamide
CID 17150222
N-benzyl-2-[(3-butan-2-yloxybenzoyl)carbamothioylamino]-N-methylbenzamide
CID 17150096
4-butan-2-yloxy-N'-(2-phenylacetyl)benzohydrazide
CID 17141392
N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]-3-butan-2-yloxybenzamide
CID 17150251
4-butan-2-yloxy-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 17141775

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide?
The IUPAC name of 3-butan-2-yloxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide (CID 17150207) is 3-butan-2-yloxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide.
What is the SMILES notation for 3-butan-2-yloxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide?
The canonical SMILES for 3-butan-2-yloxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide is CCC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)Cc2ccccc2)c1.
What is the InChIKey of 3-butan-2-yloxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide?
The InChIKey is HZUMAJRMTUSKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-3-14(2)26-17-11-7-10-16(13-17)19(25)21-20(27)23-22-18(24)12-15-8-5-4-6-9-15/h4-11,13-14H,3,12H2,1-2H3,(H,22,24)(H2,21,23,25,27).
What are the key properties of 3-butan-2-yloxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide?
3-butan-2-yloxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide has a molecular weight of 385.49 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide is sourced from PubChem (CID 17150207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).