N-(dipropylcarbamothioyl)-4-methoxybenzamide

C15H22N2O2S — CID 2223274

IUPACN-(dipropylcarbamothioyl)-4-methoxybenzamide
SMILESCCCN(CCC)C(=S)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H22N2O2S/c1-4-10-17(11-5-2)15(20)16-14(18)12-6-8-13(19-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,16,18,20)
InChIKeyZJIWHZMZJKQNMY-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.83
Rot. Bonds6

About N-(dipropylcarbamothioyl)-4-methoxybenzamide

N-(dipropylcarbamothioyl)-4-methoxybenzamide (PubChem CID 2223274) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(dipropylcarbamothioyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(dipropylcarbamothioyl)-4-methoxybenzamide
PubChem CID2223274
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(dipropylcarbamothioyl)-4-methoxybenzamide
SMILESCCCN(CCC)C(=S)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H22N2O2S/c1-4-10-17(11-5-2)15(20)16-14(18)12-6-8-13(19-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,16,18,20)
InChIKeyZJIWHZMZJKQNMY-UHFFFAOYSA-N
XLogP2.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-(dipropylcarbamothioyl)-4-ethoxybenzamide
CID 4948995
4-chloro-N-(dipropylcarbamothioyl)benzamide
CID 4924321
N-[bis[(4-methoxyphenyl)methyl]carbamothioyl]-4-chlorobenzamide
CID 87073657
N-(dibutylcarbamothioyl)-3,5-dimethoxybenzamide
CID 18822917
ethyl 2-[benzyl-[(4-methoxybenzoyl)carbamothioyl]amino]acetate
CID 3852659
N-carbamothioyl-4-methoxybenzamide
CID 14007083
N-(diethylcarbamothioyl)-4-propan-2-yloxybenzamide
CID 4952195
N-(dibutylcarbamothioyl)-4-fluorobenzamide
CID 2294349
N-[cyclopropylmethyl(propyl)carbamothioyl]-4-methylbenzamide
CID 3816997
ethyl 3-[furan-2-ylmethyl-[(4-methoxybenzoyl)carbamothioyl]amino]propanoate
CID 3858861
4-methoxy-N-pentanoylbenzamide
CID 175364766
methyl N-(4-methoxybenzoyl)carbamate
CID 10420604

Frequently Asked Questions

What is the IUPAC name of N-(dipropylcarbamothioyl)-4-methoxybenzamide?
The IUPAC name of N-(dipropylcarbamothioyl)-4-methoxybenzamide (CID 2223274) is N-(dipropylcarbamothioyl)-4-methoxybenzamide.
What is the SMILES notation for N-(dipropylcarbamothioyl)-4-methoxybenzamide?
The canonical SMILES for N-(dipropylcarbamothioyl)-4-methoxybenzamide is CCCN(CCC)C(=S)NC(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(dipropylcarbamothioyl)-4-methoxybenzamide?
The InChIKey is ZJIWHZMZJKQNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-4-10-17(11-5-2)15(20)16-14(18)12-6-8-13(19-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,16,18,20).
What are the key properties of N-(dipropylcarbamothioyl)-4-methoxybenzamide?
N-(dipropylcarbamothioyl)-4-methoxybenzamide has a molecular weight of 294.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dipropylcarbamothioyl)-4-methoxybenzamide is sourced from PubChem (CID 2223274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).