N-butan-2-yl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide

C20H23N3O3S — CID 17151357

IUPACN-butan-2-yl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1OC
InChIInChI=1S/C20H23N3O3S/c1-4-13(2)21-18(24)14-9-5-7-11-16(14)22-20(27)23-19(25)15-10-6-8-12-17(15)26-3/h5-13H,4H2,1-3H3,(H,21,24)(H2,22,23,25,27)
InChIKeySNHDDOINQNMYTM-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.35
Rot. Bonds6

About N-butan-2-yl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide

N-butan-2-yl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide (PubChem CID 17151357) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-butan-2-yl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide
PubChem CID17151357
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-butan-2-yl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1OC
InChIInChI=1S/C20H23N3O3S/c1-4-13(2)21-18(24)14-9-5-7-11-16(14)22-20(27)23-19(25)15-10-6-8-12-17(15)26-3/h5-13H,4H2,1-3H3,(H,21,24)(H2,22,23,25,27)
InChIKeySNHDDOINQNMYTM-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-2-[(2-methoxybenzoyl)amino]benzamide
CID 3936748
N-butan-2-yl-2-methoxybenzamide
CID 3117660
N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2-methoxybenzamide
CID 959869
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,3-dimethoxybenzamide
CID 95903703
N-butan-2-yl-2-[(4-butan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 17151430
N-butyl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide
CID 17149477
2-[(2-methoxybenzoyl)carbamothioylamino]benzoate
CID 6945297
N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide
CID 885156
N-butan-2-yl-2-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzamide
CID 17151378
2-methoxy-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 46760837
N-benzyl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide
CID 4930662
N-ethyl-2-[(2-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 17045912

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide?
The IUPAC name of N-butan-2-yl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide (CID 17151357) is N-butan-2-yl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide is CCC(C)NC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1OC.
What is the InChIKey of N-butan-2-yl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide?
The InChIKey is SNHDDOINQNMYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-4-13(2)21-18(24)14-9-5-7-11-16(14)22-20(27)23-19(25)15-10-6-8-12-17(15)26-3/h5-13H,4H2,1-3H3,(H,21,24)(H2,22,23,25,27).
What are the key properties of N-butan-2-yl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide?
N-butan-2-yl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide has a molecular weight of 385.49 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide is sourced from PubChem (CID 17151357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).