N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-2,2-diphenylacetamide

C25H26N2O2S — CID 4940733

IUPACN-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-2,2-diphenylacetamide
SMILESCC(C)COc1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O2S/c1-18(2)17-29-22-15-13-21(14-16-22)26-25(30)27-24(28)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,18,23H,17H2,1-2H3,(H2,26,27,28,30)
InChIKeyBORSHULRDPAPBS-UHFFFAOYSA-N
MW418.56 g/mol
LogP5.37
Rot. Bonds7

About N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-2,2-diphenylacetamide

N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-2,2-diphenylacetamide (PubChem CID 4940733) has the molecular formula C25H26N2O2S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-2,2-diphenylacetamide
PubChem CID4940733
Molecular FormulaC25H26N2O2S
Molecular Weight418.56 g/mol
Exact Mass418.17
IUPAC NameN-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-2,2-diphenylacetamide
SMILESCC(C)COc1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O2S/c1-18(2)17-29-22-15-13-21(14-16-22)26-25(30)27-24(28)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,18,23H,17H2,1-2H3,(H2,26,27,28,30)
InChIKeyBORSHULRDPAPBS-UHFFFAOYSA-N
XLogP5.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.56
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-benzamidophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17235735
1-[4-(2-methylpropoxy)phenyl]-3-phenylthiourea
CID 4940469
4-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide
CID 43887960
N-[(4-anilinophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 4937330
N-[[4-[(2,2-diphenylacetyl)carbamothioylamino]phenyl]carbamothioyl]propanamide
CID 4634604
methyl 4-[(2,2-diphenylacetyl)carbamothioylamino]benzoate
CID 1048113
N-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 4630986
1-[(2,2-diphenylacetyl)amino]-3-(4-ethoxyphenyl)thiourea
CID 40631596
N-[(4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide
CID 1048111
3-(2-methylpropoxy)-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17140677
N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 4956992
N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2,2-diphenylacetamide
CID 4631517

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-2,2-diphenylacetamide?
The IUPAC name of N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-2,2-diphenylacetamide (CID 4940733) is N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-2,2-diphenylacetamide is CC(C)COc1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-2,2-diphenylacetamide?
The InChIKey is BORSHULRDPAPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2S/c1-18(2)17-29-22-15-13-21(14-16-22)26-25(30)27-24(28)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,18,23H,17H2,1-2H3,(H2,26,27,28,30).
What are the key properties of N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-2,2-diphenylacetamide?
N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-2,2-diphenylacetamide has a molecular weight of 418.56 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-2,2-diphenylacetamide is sourced from PubChem (CID 4940733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).