N-[4-(benzoylcarbamothioylamino)-2-methylphenyl]benzamide

C22H19N3O2S — CID 3311772

IUPACN-[4-(benzoylcarbamothioylamino)-2-methylphenyl]benzamide
SMILESCc1cc(NC(=S)NC(=O)c2ccccc2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C22H19N3O2S/c1-15-14-18(23-22(28)25-21(27)17-10-6-3-7-11-17)12-13-19(15)24-20(26)16-8-4-2-5-9-16/h2-14H,1H3,(H,24,26)(H2,23,25,27,28)
InChIKeyJIWIYUPUJLAILZ-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.37
Rot. Bonds4

About N-[4-(benzoylcarbamothioylamino)-2-methylphenyl]benzamide

N-[4-(benzoylcarbamothioylamino)-2-methylphenyl]benzamide (PubChem CID 3311772) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[4-(benzoylcarbamothioylamino)-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[4-(benzoylcarbamothioylamino)-2-methylphenyl]benzamide
PubChem CID3311772
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-[4-(benzoylcarbamothioylamino)-2-methylphenyl]benzamide
SMILESCc1cc(NC(=S)NC(=O)c2ccccc2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C22H19N3O2S/c1-15-14-18(23-22(28)25-21(27)17-10-6-3-7-11-17)12-13-19(15)24-20(26)16-8-4-2-5-9-16/h2-14H,1H3,(H,24,26)(H2,23,25,27,28)
InChIKeyJIWIYUPUJLAILZ-UHFFFAOYSA-N
XLogP4.37
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-benzamido-3-methylphenyl)carbamothioyl]-3-methylbenzamide
CID 54781857
N-[2-methyl-4-(2-methylpropanoylcarbamothioylamino)phenyl]benzamide
CID 17099680
N-[(4-benzamido-3-methylphenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 54781894
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
N-[(4-benzamido-3-methylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide
CID 17314715
N-(4-benzamido-3-methylphenyl)-3-methoxybenzamide
CID 1365764
N-[(3-bromo-4-hydroxy-5-methylphenyl)carbamothioyl]benzamide
CID 91674602
N-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide
CID 1288920
N-[2-methyl-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide
CID 54781781
N-[4-(benzoylcarbamothioylamino)phenyl]-4-tert-butylbenzamide
CID 1348500
N-[(3-benzamidophenyl)carbamothioyl]-4-tert-butylbenzamide
CID 1340575
N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-phenylbenzamide
CID 2209632

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzoylcarbamothioylamino)-2-methylphenyl]benzamide?
The IUPAC name of N-[4-(benzoylcarbamothioylamino)-2-methylphenyl]benzamide (CID 3311772) is N-[4-(benzoylcarbamothioylamino)-2-methylphenyl]benzamide.
What is the SMILES notation for N-[4-(benzoylcarbamothioylamino)-2-methylphenyl]benzamide?
The canonical SMILES for N-[4-(benzoylcarbamothioylamino)-2-methylphenyl]benzamide is Cc1cc(NC(=S)NC(=O)c2ccccc2)ccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[4-(benzoylcarbamothioylamino)-2-methylphenyl]benzamide?
The InChIKey is JIWIYUPUJLAILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-15-14-18(23-22(28)25-21(27)17-10-6-3-7-11-17)12-13-19(15)24-20(26)16-8-4-2-5-9-16/h2-14H,1H3,(H,24,26)(H2,23,25,27,28).
What are the key properties of N-[4-(benzoylcarbamothioylamino)-2-methylphenyl]benzamide?
N-[4-(benzoylcarbamothioylamino)-2-methylphenyl]benzamide has a molecular weight of 389.48 g/mol, XLogP of 4.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzoylcarbamothioylamino)-2-methylphenyl]benzamide is sourced from PubChem (CID 3311772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).