N-(dipropylcarbamothioyl)-2-ethoxybenzamide

C16H24N2O2S — CID 4926858

IUPACN-(dipropylcarbamothioyl)-2-ethoxybenzamide
SMILESCCCN(CCC)C(=S)NC(=O)c1ccccc1OCC
InChIInChI=1S/C16H24N2O2S/c1-4-11-18(12-5-2)16(21)17-15(19)13-9-7-8-10-14(13)20-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,17,19,21)
InChIKeyCAFCAGNPQWTIOV-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.22
Rot. Bonds7

About N-(dipropylcarbamothioyl)-2-ethoxybenzamide

N-(dipropylcarbamothioyl)-2-ethoxybenzamide (PubChem CID 4926858) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(dipropylcarbamothioyl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(dipropylcarbamothioyl)-2-ethoxybenzamide
PubChem CID4926858
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(dipropylcarbamothioyl)-2-ethoxybenzamide
SMILESCCCN(CCC)C(=S)NC(=O)c1ccccc1OCC
InChIInChI=1S/C16H24N2O2S/c1-4-11-18(12-5-2)16(21)17-15(19)13-9-7-8-10-14(13)20-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,17,19,21)
InChIKeyCAFCAGNPQWTIOV-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-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide
CID 26162627
N-(dipropylcarbamothioyl)-4-ethoxybenzamide
CID 4948995
N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-2-propoxybenzamide
CID 28642812
5-bromo-N-(dipropylcarbamothioyl)-2-propoxybenzamide
CID 17352064
ethane;2-ethoxy-N-methylbenzamide
CID 142472808
N-[(4-anilinophenyl)carbamothioyl]-2-ethoxybenzamide
CID 4926669
ethyl 2-[(2-ethoxybenzoyl)carbamothioylamino]acetate
CID 18822963
N-[4-[(2-ethoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide
CID 17251773
N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-ethoxybenzamide
CID 17202756
N-[benzyl(2-cyanoethyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 43912041
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-ethoxy-N-[(4-iodophenyl)carbamothioyl]benzamide
CID 4926674

Frequently Asked Questions

What is the IUPAC name of N-(dipropylcarbamothioyl)-2-ethoxybenzamide?
The IUPAC name of N-(dipropylcarbamothioyl)-2-ethoxybenzamide (CID 4926858) is N-(dipropylcarbamothioyl)-2-ethoxybenzamide.
What is the SMILES notation for N-(dipropylcarbamothioyl)-2-ethoxybenzamide?
The canonical SMILES for N-(dipropylcarbamothioyl)-2-ethoxybenzamide is CCCN(CCC)C(=S)NC(=O)c1ccccc1OCC.
What is the InChIKey of N-(dipropylcarbamothioyl)-2-ethoxybenzamide?
The InChIKey is CAFCAGNPQWTIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-4-11-18(12-5-2)16(21)17-15(19)13-9-7-8-10-14(13)20-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,17,19,21).
What are the key properties of N-(dipropylcarbamothioyl)-2-ethoxybenzamide?
N-(dipropylcarbamothioyl)-2-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)-2-ethoxybenzamide is sourced from PubChem (CID 4926858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).