N-(dipropylcarbamothioyl)-4-ethoxybenzamide

C16H24N2O2S — CID 4948995

IUPACN-(dipropylcarbamothioyl)-4-ethoxybenzamide
SMILESCCCN(CCC)C(=S)NC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C16H24N2O2S/c1-4-11-18(12-5-2)16(21)17-15(19)13-7-9-14(10-8-13)20-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,17,19,21)
InChIKeyWDEHJOUJEZBLMG-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.22
Rot. Bonds7

About N-(dipropylcarbamothioyl)-4-ethoxybenzamide

N-(dipropylcarbamothioyl)-4-ethoxybenzamide (PubChem CID 4948995) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(dipropylcarbamothioyl)-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(dipropylcarbamothioyl)-4-ethoxybenzamide
PubChem CID4948995
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(dipropylcarbamothioyl)-4-ethoxybenzamide
SMILESCCCN(CCC)C(=S)NC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C16H24N2O2S/c1-4-11-18(12-5-2)16(21)17-15(19)13-7-9-14(10-8-13)20-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,17,19,21)
InChIKeyWDEHJOUJEZBLMG-UHFFFAOYSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.22
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-(dipropylcarbamothioyl)-4-methoxybenzamide
CID 2223274
4-chloro-N-(dipropylcarbamothioyl)benzamide
CID 4924321
4-[(4-ethoxybenzoyl)amino]-N,N-dipropylbenzamide
CID 17196180
N-(dipropylcarbamothioyl)-2-ethoxybenzamide
CID 4926858
4-ethoxy-N-(pentylcarbamothioyl)benzamide
CID 18822939
N-(diethylcarbamothioyl)-4-propan-2-yloxybenzamide
CID 4952195
4-ethoxy-N-oxaldehydoylbenzamide
CID 23085538
N-(dibutylcarbamothioyl)-4-fluorobenzamide
CID 2294349
4-[[4-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N,N-dipropylbenzamide
CID 17196571
4-ethoxy-N-(2-methoxyethylcarbamothioyl)benzamide
CID 2218771
4-ethoxy-N-(pyrrolidine-1-carbothioyl)benzamide
CID 4948914
N-[cyclopropylmethyl(propyl)carbamothioyl]-4-methylbenzamide
CID 3816997

Frequently Asked Questions

What is the IUPAC name of N-(dipropylcarbamothioyl)-4-ethoxybenzamide?
The IUPAC name of N-(dipropylcarbamothioyl)-4-ethoxybenzamide (CID 4948995) is N-(dipropylcarbamothioyl)-4-ethoxybenzamide.
What is the SMILES notation for N-(dipropylcarbamothioyl)-4-ethoxybenzamide?
The canonical SMILES for N-(dipropylcarbamothioyl)-4-ethoxybenzamide is CCCN(CCC)C(=S)NC(=O)c1ccc(OCC)cc1.
What is the InChIKey of N-(dipropylcarbamothioyl)-4-ethoxybenzamide?
The InChIKey is WDEHJOUJEZBLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-4-11-18(12-5-2)16(21)17-15(19)13-7-9-14(10-8-13)20-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,17,19,21).
What are the key properties of N-(dipropylcarbamothioyl)-4-ethoxybenzamide?
N-(dipropylcarbamothioyl)-4-ethoxybenzamide has a molecular weight of 308.45 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dipropylcarbamothioyl)-4-ethoxybenzamide is sourced from PubChem (CID 4948995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).