N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide

C23H30N2OS — CID 54782467

IUPACN-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCCc1cccc(C)c1NC(=S)NC(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C23H30N2OS/c1-6-19-9-7-8-16(4)21(19)24-23(27)25-22(26)17(5)20-12-10-18(11-13-20)14-15(2)3/h7-13,15,17H,6,14H2,1-5H3,(H2,24,25,26,27)
InChIKeyRKBFDRJYFQAHRW-UHFFFAOYSA-N
MW382.57 g/mol
LogP5.37
Rot. Bonds6

About N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide

N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 54782467) has the molecular formula C23H30N2OS and a molecular weight of 382.57 g/mol. Its IUPAC name is N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID54782467
Molecular FormulaC23H30N2OS
Molecular Weight382.57 g/mol
Exact Mass382.21
IUPAC NameN-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCCc1cccc(C)c1NC(=S)NC(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C23H30N2OS/c1-6-19-9-7-8-16(4)21(19)24-23(27)25-22(26)17(5)20-12-10-18(11-13-20)14-15(2)3/h7-13,15,17H,6,14H2,1-5H3,(H2,24,25,26,27)
InChIKeyRKBFDRJYFQAHRW-UHFFFAOYSA-N
XLogP5.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.57
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-methylpropyl)phenyl]-N-[[3-(propanoylamino)phenyl]carbamothioyl]propanamide
CID 54782396
N-[(2,6-dimethylphenyl)carbamothioyl]-2-methylpropanamide
CID 4928043
N-(3-methylphenyl)-3-[2-[4-(2-methylpropyl)phenyl]propanoylcarbamothioylamino]benzamide
CID 54782752
2-[4-(2-methylpropyl)phenyl]-N-[(3-nitrophenyl)carbamothioyl]propanamide
CID 54782574
(2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228333
N-[(2-methyl-5-nitrophenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782537
5-bromo-N-[(2-ethyl-6-methylphenyl)carbamothioyl]furan-2-carboxamide
CID 4936274
N-[(4-methoxyphenyl)methylcarbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782759
N-[[4-[3-(methylamino)-3-oxopropyl]phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782777
N-[[2-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782394
N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782363
N-benzyl-N-methyl-3-[2-[4-(2-methylpropyl)phenyl]propanoylcarbamothioylamino]benzamide
CID 54782745

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 54782467) is N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide is CCc1cccc(C)c1NC(=S)NC(=O)C(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is RKBFDRJYFQAHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2OS/c1-6-19-9-7-8-16(4)21(19)24-23(27)25-22(26)17(5)20-12-10-18(11-13-20)14-15(2)3/h7-13,15,17H,6,14H2,1-5H3,(H2,24,25,26,27).
What are the key properties of N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 382.57 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 54782467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).