N-[(4-methoxyphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide

C19H22N2O3S — CID 17099390

IUPACN-[(4-methoxyphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide
SMILESCOc1ccc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C19H22N2O3S/c1-13(2)12-24-17-6-4-5-14(11-17)18(22)21-19(25)20-15-7-9-16(23-3)10-8-15/h4-11,13H,12H2,1-3H3,(H2,20,21,22,25)
InChIKeyPBIZTGUDPMGLQN-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.86
Rot. Bonds6

About N-[(4-methoxyphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide

N-[(4-methoxyphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide (PubChem CID 17099390) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide
PubChem CID17099390
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[(4-methoxyphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide
SMILESCOc1ccc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C19H22N2O3S/c1-13(2)12-24-17-6-4-5-14(11-17)18(22)21-19(25)20-15-7-9-16(23-3)10-8-15/h4-11,13H,12H2,1-3H3,(H2,20,21,22,25)
InChIKeyPBIZTGUDPMGLQN-UHFFFAOYSA-N
XLogP3.86
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 4957755
3-(2-methylpropoxy)-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17140677
N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17202804
N-[(3,5-dichlorophenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17140531
3-(2-methylpropoxy)-N-[[4-(propylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17219220
N-[[4-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 46760781
N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17140558
3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)carbamothioyl]benzamide
CID 17139837
N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17140791
N-[(4-benzamidophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17235735
methyl 2-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]benzoate
CID 17140602
N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17140621

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-[(4-methoxyphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide (CID 17099390) is N-[(4-methoxyphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide is COc1ccc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide?
The InChIKey is PBIZTGUDPMGLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13(2)12-24-17-6-4-5-14(11-17)18(22)21-19(25)20-15-7-9-16(23-3)10-8-15/h4-11,13H,12H2,1-3H3,(H2,20,21,22,25).
What are the key properties of N-[(4-methoxyphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide?
N-[(4-methoxyphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide has a molecular weight of 358.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 17099390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).