N-[(5-methoxy-2-propan-2-ylphenyl)carbamothioyl]benzamide

C18H20N2O2S — CID 90404247

IUPACN-[(5-methoxy-2-propan-2-ylphenyl)carbamothioyl]benzamide
SMILESCOc1ccc(C(C)C)c(NC(=S)NC(=O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O2S/c1-12(2)15-10-9-14(22-3)11-16(15)19-18(23)20-17(21)13-7-5-4-6-8-13/h4-12H,1-3H3,(H2,19,20,21,23)
InChIKeyHTZJGIAVNNUESN-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.95
Rot. Bonds4

About N-[(5-methoxy-2-propan-2-ylphenyl)carbamothioyl]benzamide

N-[(5-methoxy-2-propan-2-ylphenyl)carbamothioyl]benzamide (PubChem CID 90404247) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[(5-methoxy-2-propan-2-ylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(5-methoxy-2-propan-2-ylphenyl)carbamothioyl]benzamide
PubChem CID90404247
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[(5-methoxy-2-propan-2-ylphenyl)carbamothioyl]benzamide
SMILESCOc1ccc(C(C)C)c(NC(=S)NC(=O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O2S/c1-12(2)15-10-9-14(22-3)11-16(15)19-18(23)20-17(21)13-7-5-4-6-8-13/h4-12H,1-3H3,(H2,19,20,21,23)
InChIKeyHTZJGIAVNNUESN-UHFFFAOYSA-N
XLogP3.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.95
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-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide
CID 2920046
N-[(4-fluoro-2-propan-2-ylphenyl)carbamothioyl]benzamide
CID 89373096
N-[(2,5-diethoxyphenyl)carbamothioyl]benzamide
CID 13003888
N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142646
4-pentoxy-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide
CID 17094051
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 817326
N-[(2,4-dimethoxyphenyl)carbamothioyl]-3-methylbenzamide
CID 834971
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 4937376
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-fluorobenzamide
CID 924135
4-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide
CID 54792073
4-butan-2-yloxy-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide
CID 17141512
N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 1226908

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-2-propan-2-ylphenyl)carbamothioyl]benzamide?
The IUPAC name of N-[(5-methoxy-2-propan-2-ylphenyl)carbamothioyl]benzamide (CID 90404247) is N-[(5-methoxy-2-propan-2-ylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(5-methoxy-2-propan-2-ylphenyl)carbamothioyl]benzamide?
The canonical SMILES for N-[(5-methoxy-2-propan-2-ylphenyl)carbamothioyl]benzamide is COc1ccc(C(C)C)c(NC(=S)NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[(5-methoxy-2-propan-2-ylphenyl)carbamothioyl]benzamide?
The InChIKey is HTZJGIAVNNUESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-12(2)15-10-9-14(22-3)11-16(15)19-18(23)20-17(21)13-7-5-4-6-8-13/h4-12H,1-3H3,(H2,19,20,21,23).
What are the key properties of N-[(5-methoxy-2-propan-2-ylphenyl)carbamothioyl]benzamide?
N-[(5-methoxy-2-propan-2-ylphenyl)carbamothioyl]benzamide has a molecular weight of 328.44 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-2-propan-2-ylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 90404247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).