N-(dibutylcarbamothioyl)-3,5-dimethoxybenzamide

C18H28N2O3S — CID 18822917

IUPACN-(dibutylcarbamothioyl)-3,5-dimethoxybenzamide
SMILESCCCCN(CCCC)C(=S)NC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C18H28N2O3S/c1-5-7-9-20(10-8-6-2)18(24)19-17(21)14-11-15(22-3)13-16(12-14)23-4/h11-13H,5-10H2,1-4H3,(H,19,21,24)
InChIKeyQSQRDPSMNXXFAK-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.62
Rot. Bonds9

About N-(dibutylcarbamothioyl)-3,5-dimethoxybenzamide

N-(dibutylcarbamothioyl)-3,5-dimethoxybenzamide (PubChem CID 18822917) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-(dibutylcarbamothioyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(dibutylcarbamothioyl)-3,5-dimethoxybenzamide
PubChem CID18822917
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-(dibutylcarbamothioyl)-3,5-dimethoxybenzamide
SMILESCCCCN(CCCC)C(=S)NC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C18H28N2O3S/c1-5-7-9-20(10-8-6-2)18(24)19-17(21)14-11-15(22-3)13-16(12-14)23-4/h11-13H,5-10H2,1-4H3,(H,19,21,24)
InChIKeyQSQRDPSMNXXFAK-UHFFFAOYSA-N
XLogP3.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibutyl-3,5-dimethoxybenzamide
CID 4198508
N-(dipropylcarbamothioyl)-4-methoxybenzamide
CID 2223274
3,5-dimethoxy-N-(pentylcarbamothioyl)benzamide
CID 18822912
N-(dibutylcarbamothioyl)-4-fluorobenzamide
CID 2294349
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
N-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 113051850
1-(3,5-dimethoxyphenyl)tridecan-1-one
CID 154094399
N-(dipropylcarbamothioyl)-4-ethoxybenzamide
CID 4948995
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
N,N-dibutyl-4-methoxybenzamide
CID 2163395
N-(1-amino-1-sulfanylidenepentan-2-yl)-3,5-dimethoxybenzamide
CID 61120314
3-methoxy-N-(pentylcarbamothioyl)benzamide
CID 18822983

Frequently Asked Questions

What is the IUPAC name of N-(dibutylcarbamothioyl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(dibutylcarbamothioyl)-3,5-dimethoxybenzamide (CID 18822917) is N-(dibutylcarbamothioyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(dibutylcarbamothioyl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(dibutylcarbamothioyl)-3,5-dimethoxybenzamide is CCCCN(CCCC)C(=S)NC(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of N-(dibutylcarbamothioyl)-3,5-dimethoxybenzamide?
The InChIKey is QSQRDPSMNXXFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-5-7-9-20(10-8-6-2)18(24)19-17(21)14-11-15(22-3)13-16(12-14)23-4/h11-13H,5-10H2,1-4H3,(H,19,21,24).
What are the key properties of N-(dibutylcarbamothioyl)-3,5-dimethoxybenzamide?
N-(dibutylcarbamothioyl)-3,5-dimethoxybenzamide has a molecular weight of 352.50 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dibutylcarbamothioyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 18822917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).