N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide

C23H29N3O3S — CID 26162627

IUPACN-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=S)NC(=O)c2ccccc2OCC)c1
InChIInChI=1S/C23H29N3O3S/c1-4-14-26(15-5-2)22(28)17-10-9-11-18(16-17)24-23(30)25-21(27)19-12-7-8-13-20(19)29-6-3/h7-13,16H,4-6,14-15H2,1-3H3,(H2,24,25,27,30)
InChIKeyYFIFKYLLMNIILV-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.47
Rot. Bonds9

About N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide

N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide (PubChem CID 26162627) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide
PubChem CID26162627
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=S)NC(=O)c2ccccc2OCC)c1
InChIInChI=1S/C23H29N3O3S/c1-4-14-26(15-5-2)22(28)17-10-9-11-18(16-17)24-23(30)25-21(27)19-12-7-8-13-20(19)29-6-3/h7-13,16H,4-6,14-15H2,1-3H3,(H2,24,25,27,30)
InChIKeyYFIFKYLLMNIILV-UHFFFAOYSA-N
XLogP4.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 26162678
N-[(3-benzamidophenyl)carbamothioyl]-2-ethoxybenzamide
CID 17235160
2-ethoxy-N-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17197719
N-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17222179
2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154886
3-[(3-butoxybenzoyl)carbamothioylamino]-N,N-dipropylbenzamide
CID 26162655
N-(dipropylcarbamothioyl)-2-ethoxybenzamide
CID 4926858
2-butoxy-N-[[3-(methylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17233260
N-[(3-acetylphenyl)carbamothioyl]-2-hexoxybenzamide
CID 4942527
2-(2-ethoxyethoxy)-N-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17222190
N-[(4-anilinophenyl)carbamothioyl]-2-ethoxybenzamide
CID 4926669
N-[[3-(butylcarbamoyl)phenyl]carbamothioyl]-2-hexoxybenzamide
CID 17197260

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide?
The IUPAC name of N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide (CID 26162627) is N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide?
The canonical SMILES for N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide is CCCN(CCC)C(=O)c1cccc(NC(=S)NC(=O)c2ccccc2OCC)c1.
What is the InChIKey of N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide?
The InChIKey is YFIFKYLLMNIILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-4-14-26(15-5-2)22(28)17-10-9-11-18(16-17)24-23(30)25-21(27)19-12-7-8-13-20(19)29-6-3/h7-13,16H,4-6,14-15H2,1-3H3,(H2,24,25,27,30).
What are the key properties of N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide?
N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide has a molecular weight of 427.57 g/mol, XLogP of 4.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide is sourced from PubChem (CID 26162627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).