N-(diethylcarbamothioyl)-4-propan-2-yloxybenzamide

C15H22N2O2S — CID 4952195

IUPACN-(diethylcarbamothioyl)-4-propan-2-yloxybenzamide
SMILESCCN(CC)C(=S)NC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H22N2O2S/c1-5-17(6-2)15(20)16-14(18)12-7-9-13(10-8-12)19-11(3)4/h7-11H,5-6H2,1-4H3,(H,16,18,20)
InChIKeyAVLMIFKNMCHRDW-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.83
Rot. Bonds5

About N-(diethylcarbamothioyl)-4-propan-2-yloxybenzamide

N-(diethylcarbamothioyl)-4-propan-2-yloxybenzamide (PubChem CID 4952195) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(diethylcarbamothioyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(diethylcarbamothioyl)-4-propan-2-yloxybenzamide
PubChem CID4952195
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(diethylcarbamothioyl)-4-propan-2-yloxybenzamide
SMILESCCN(CC)C(=S)NC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H22N2O2S/c1-5-17(6-2)15(20)16-14(18)12-7-9-13(10-8-12)19-11(3)4/h7-11H,5-6H2,1-4H3,(H,16,18,20)
InChIKeyAVLMIFKNMCHRDW-UHFFFAOYSA-N
XLogP2.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[ethyl(phenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 4952165
4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109048416
N-(dipropylcarbamothioyl)-4-methoxybenzamide
CID 2223274
N-[(butanoylamino)carbamothioyl]-4-propan-2-yloxybenzamide
CID 17340176
N-(1-hydroxybutan-2-ylcarbamothioyl)-4-propan-2-yloxybenzamide
CID 17162169
N-(dipropylcarbamothioyl)-4-ethoxybenzamide
CID 4948995
N-[(4-butan-2-yloxyphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 17160769
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
3-[ethyl-(4-propan-2-yloxybenzoyl)amino]propanoic acid
CID 61007975
N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 4952219
4-propan-2-yloxy-N-(prop-2-enylcarbamothioyl)benzamide
CID 4952255
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005

Frequently Asked Questions

What is the IUPAC name of N-(diethylcarbamothioyl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(diethylcarbamothioyl)-4-propan-2-yloxybenzamide (CID 4952195) is N-(diethylcarbamothioyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(diethylcarbamothioyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(diethylcarbamothioyl)-4-propan-2-yloxybenzamide is CCN(CC)C(=S)NC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-(diethylcarbamothioyl)-4-propan-2-yloxybenzamide?
The InChIKey is AVLMIFKNMCHRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-5-17(6-2)15(20)16-14(18)12-7-9-13(10-8-12)19-11(3)4/h7-11H,5-6H2,1-4H3,(H,16,18,20).
What are the key properties of N-(diethylcarbamothioyl)-4-propan-2-yloxybenzamide?
N-(diethylcarbamothioyl)-4-propan-2-yloxybenzamide has a molecular weight of 294.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethylcarbamothioyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 4952195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).