N-[benzyl(phenyl)carbamothioyl]benzamide

C21H18N2OS — CID 44825170

IUPACN-[benzyl(phenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)N(Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2OS/c24-20(18-12-6-2-7-13-18)22-21(25)23(19-14-8-3-9-15-19)16-17-10-4-1-5-11-17/h1-15H,16H2,(H,22,24,25)
InChIKeyYWMZLWZLWFOPGK-UHFFFAOYSA-N
MW346.46 g/mol
LogP4.41
Rot. Bonds4

About N-[benzyl(phenyl)carbamothioyl]benzamide

N-[benzyl(phenyl)carbamothioyl]benzamide (PubChem CID 44825170) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[benzyl(phenyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[benzyl(phenyl)carbamothioyl]benzamide
PubChem CID44825170
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC NameN-[benzyl(phenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)N(Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2OS/c24-20(18-12-6-2-7-13-18)22-21(25)23(19-14-8-3-9-15-19)16-17-10-4-1-5-11-17/h1-15H,16H2,(H,22,24,25)
InChIKeyYWMZLWZLWFOPGK-UHFFFAOYSA-N
XLogP4.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(dibenzylcarbamothioyl)-4-(dihydroxyamino)benzamide
CID 88968404
[4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid
CID 134584304
3-(3-acetylphenyl)-1-benzyl-1-phenylthiourea
CID 19678417
(E)-N-[benzyl(phenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 44825151
N-(dibenzylcarbamothioyl)-3-nitrobenzamide
CID 2295529
N-[ethyl(phenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 4952165
4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109044170
N-[2-[benzoylcarbamothioyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]carbamothioyl]benzamide
CID 25146546
1-benzyl-3-(2-chlorophenyl)-1-phenylthiourea
CID 17384143
N-[(4-methylphenyl)-(2,2,3,3-tetrafluoropropyl)carbamothioyl]benzamide
CID 21235075
[2-(N-benzylanilino)-2-oxoethyl] 3-benzamidobutanoate
CID 55481805
N-(benzylcarbamothioyl)benzamide
CID 700976

Frequently Asked Questions

What is the IUPAC name of N-[benzyl(phenyl)carbamothioyl]benzamide?
The IUPAC name of N-[benzyl(phenyl)carbamothioyl]benzamide (CID 44825170) is N-[benzyl(phenyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[benzyl(phenyl)carbamothioyl]benzamide?
The canonical SMILES for N-[benzyl(phenyl)carbamothioyl]benzamide is O=C(NC(=S)N(Cc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[benzyl(phenyl)carbamothioyl]benzamide?
The InChIKey is YWMZLWZLWFOPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS/c24-20(18-12-6-2-7-13-18)22-21(25)23(19-14-8-3-9-15-19)16-17-10-4-1-5-11-17/h1-15H,16H2,(H,22,24,25).
What are the key properties of N-[benzyl(phenyl)carbamothioyl]benzamide?
N-[benzyl(phenyl)carbamothioyl]benzamide has a molecular weight of 346.46 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzyl(phenyl)carbamothioyl]benzamide is sourced from PubChem (CID 44825170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).