2-ethoxy-N-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide

C20H23N3O3S — CID 17197719

IUPAC2-ethoxy-N-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide
SMILESCCOc1ccccc1C(=O)NC(=S)Nc1cccc(C(=O)NC(C)C)c1
InChIInChI=1S/C20H23N3O3S/c1-4-26-17-11-6-5-10-16(17)19(25)23-20(27)22-15-9-7-8-14(12-15)18(24)21-13(2)3/h5-13H,4H2,1-3H3,(H,21,24)(H2,22,23,25,27)
InChIKeyAOOOIGHMJIFGRD-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.35
Rot. Bonds6

About 2-ethoxy-N-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide

2-ethoxy-N-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide (PubChem CID 17197719) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-ethoxy-N-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide
PubChem CID17197719
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name2-ethoxy-N-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide
SMILESCCOc1ccccc1C(=O)NC(=S)Nc1cccc(C(=O)NC(C)C)c1
InChIInChI=1S/C20H23N3O3S/c1-4-26-17-11-6-5-10-16(17)19(25)23-20(27)22-15-9-7-8-14(12-15)18(24)21-13(2)3/h5-13H,4H2,1-3H3,(H,21,24)(H2,22,23,25,27)
InChIKeyAOOOIGHMJIFGRD-UHFFFAOYSA-N
XLogP3.35
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-N-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17197726
N-[(3-benzamidophenyl)carbamothioyl]-2-ethoxybenzamide
CID 17235160
2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154886
3-[(3-ethoxybenzoyl)carbamothioylamino]-N-propan-2-ylbenzamide
CID 17197743
N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide
CID 26162627
N-[3-(butan-2-ylcarbamoyl)phenyl]-2-ethoxybenzamide
CID 17198857
2-butoxy-N-[[3-(methylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17233260
N-[(4-anilinophenyl)carbamothioyl]-2-ethoxybenzamide
CID 4926669
N-[(3-acetylphenyl)carbamothioyl]-2-hexoxybenzamide
CID 4942527
N-[(3-ethoxyphenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 17098406
N-[[3-[(4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 26159802
N-[[3-[(4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 26159832

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide?
The IUPAC name of 2-ethoxy-N-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide (CID 17197719) is 2-ethoxy-N-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide is CCOc1ccccc1C(=O)NC(=S)Nc1cccc(C(=O)NC(C)C)c1.
What is the InChIKey of 2-ethoxy-N-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide?
The InChIKey is AOOOIGHMJIFGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-4-26-17-11-6-5-10-16(17)19(25)23-20(27)22-15-9-7-8-14(12-15)18(24)21-13(2)3/h5-13H,4H2,1-3H3,(H,21,24)(H2,22,23,25,27).
What are the key properties of 2-ethoxy-N-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide?
2-ethoxy-N-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide has a molecular weight of 385.49 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide is sourced from PubChem (CID 17197719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).