N-ethyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide

C19H21N3O2S — CID 26164210

IUPACN-ethyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide
SMILESCCNC(=O)c1cccc(NC(=S)NC(=O)Cc2ccccc2C)c1
InChIInChI=1S/C19H21N3O2S/c1-3-20-18(24)15-9-6-10-16(11-15)21-19(25)22-17(23)12-14-8-5-4-7-13(14)2/h4-11H,3,12H2,1-2H3,(H,20,24)(H2,21,22,23,25)
InChIKeyJADVFAVWJONZCS-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.80
Rot. Bonds5

About N-ethyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide

N-ethyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide (PubChem CID 26164210) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-ethyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide
PubChem CID26164210
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-ethyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide
SMILESCCNC(=O)c1cccc(NC(=S)NC(=O)Cc2ccccc2C)c1
InChIInChI=1S/C19H21N3O2S/c1-3-20-18(24)15-9-6-10-16(11-15)21-19(25)22-17(23)12-14-8-5-4-7-13(14)2/h4-11H,3,12H2,1-2H3,(H,20,24)(H2,21,22,23,25)
InChIKeyJADVFAVWJONZCS-UHFFFAOYSA-N
XLogP2.80
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.80
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-(3-methoxypropyl)-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide
CID 26164239
3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]-N-propan-2-ylbenzamide
CID 26164149
N,N-diethyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide
CID 26164133
2-methyl-N-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]propanamide
CID 26164125
4-tert-butyl-N-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]benzamide
CID 26164219
3-(cyclopropanecarbonylcarbamothioylamino)-N-ethylbenzamide
CID 17230908
4-[[2-(2-methylphenyl)acetyl]carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639647
N-benzyl-3-(pentanoylcarbamothioylamino)benzamide
CID 28639041
N-[(4-iodophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide
CID 26163737
N-methyl-3-(propanoylcarbamothioylamino)benzamide
CID 17233204
3-acetamido-N-ethylbenzamide
CID 17230670
3-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054257

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide?
The IUPAC name of N-ethyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide (CID 26164210) is N-ethyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide.
What is the SMILES notation for N-ethyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide?
The canonical SMILES for N-ethyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide is CCNC(=O)c1cccc(NC(=S)NC(=O)Cc2ccccc2C)c1.
What is the InChIKey of N-ethyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide?
The InChIKey is JADVFAVWJONZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-3-20-18(24)15-9-6-10-16(11-15)21-19(25)22-17(23)12-14-8-5-4-7-13(14)2/h4-11H,3,12H2,1-2H3,(H,20,24)(H2,21,22,23,25).
What are the key properties of N-ethyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide?
N-ethyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide has a molecular weight of 355.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide is sourced from PubChem (CID 26164210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).