N-[(4-acetamidophenyl)carbamothioyl]-4-propan-2-ylbenzamide

C19H21N3O2S — CID 17177592

IUPACN-[(4-acetamidophenyl)carbamothioyl]-4-propan-2-ylbenzamide
SMILESCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H21N3O2S/c1-12(2)14-4-6-15(7-5-14)18(24)22-19(25)21-17-10-8-16(9-11-17)20-13(3)23/h4-12H,1-3H3,(H,20,23)(H2,21,22,24,25)
InChIKeyYPLOILIVDKCMKE-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.90
Rot. Bonds4

About N-[(4-acetamidophenyl)carbamothioyl]-4-propan-2-ylbenzamide

N-[(4-acetamidophenyl)carbamothioyl]-4-propan-2-ylbenzamide (PubChem CID 17177592) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)carbamothioyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)carbamothioyl]-4-propan-2-ylbenzamide
PubChem CID17177592
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[(4-acetamidophenyl)carbamothioyl]-4-propan-2-ylbenzamide
SMILESCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H21N3O2S/c1-12(2)14-4-6-15(7-5-14)18(24)22-19(25)21-17-10-8-16(9-11-17)20-13(3)23/h4-12H,1-3H3,(H,20,23)(H2,21,22,24,25)
InChIKeyYPLOILIVDKCMKE-UHFFFAOYSA-N
XLogP3.90
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.90
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-aminophenyl)carbamothioyl]-4-propan-2-ylbenzamide;hydrochloride
CID 88531052
N-[[4-(diethylamino)phenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 1016533
2-[4-[(4-propan-2-ylbenzoyl)carbamothioylamino]phenyl]acetic acid
CID 28686958
3,5-dimethyl-N-[(4-propan-2-ylphenyl)carbamothioyl]benzamide
CID 918770
N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide
CID 17177513
N-[[4-(butylcarbamoyl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 17195442
N-[(4-acetamidophenyl)carbamothioyl]-4-bromobenzamide
CID 3477981
N-[(3-chlorophenyl)carbamothioyl]-4-propan-2-ylbenzamide
CID 883458
N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 17177606
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 17177641
N-[[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 3577001

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)carbamothioyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[(4-acetamidophenyl)carbamothioyl]-4-propan-2-ylbenzamide (CID 17177592) is N-[(4-acetamidophenyl)carbamothioyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[(4-acetamidophenyl)carbamothioyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[(4-acetamidophenyl)carbamothioyl]-4-propan-2-ylbenzamide is CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)carbamothioyl]-4-propan-2-ylbenzamide?
The InChIKey is YPLOILIVDKCMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12(2)14-4-6-15(7-5-14)18(24)22-19(25)21-17-10-8-16(9-11-17)20-13(3)23/h4-12H,1-3H3,(H,20,23)(H2,21,22,24,25).
What are the key properties of N-[(4-acetamidophenyl)carbamothioyl]-4-propan-2-ylbenzamide?
N-[(4-acetamidophenyl)carbamothioyl]-4-propan-2-ylbenzamide has a molecular weight of 355.46 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)carbamothioyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 17177592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).