4-(2-methoxyethoxy)-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]benzamide

C23H23N3O4S — CID 17353949

IUPAC4-(2-methoxyethoxy)-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]benzamide
SMILESCOCCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C23H23N3O4S/c1-29-13-14-30-19-11-9-17(10-12-19)22(28)24-23(31)26-25-21(27)15-18-7-4-6-16-5-2-3-8-20(16)18/h2-12H,13-15H2,1H3,(H,25,27)(H2,24,26,28,31)
InChIKeyOEKSKICKDCOJRK-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.74
Rot. Bonds7

About 4-(2-methoxyethoxy)-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]benzamide

4-(2-methoxyethoxy)-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]benzamide (PubChem CID 17353949) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]benzamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]benzamide
PubChem CID17353949
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name4-(2-methoxyethoxy)-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]benzamide
SMILESCOCCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C23H23N3O4S/c1-29-13-14-30-19-11-9-17(10-12-19)22(28)24-23(31)26-25-21(27)15-18-7-4-6-16-5-2-3-8-20(16)18/h2-12H,13-15H2,1H3,(H,25,27)(H2,24,26,28,31)
InChIKeyOEKSKICKDCOJRK-UHFFFAOYSA-N
XLogP2.74
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]-4-pentoxybenzamide
CID 4936023
4-(2-methylpropoxy)-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]benzamide
CID 4937739
methyl 4-[[(2-naphthalen-1-ylacetyl)amino]carbamothioylcarbamoyl]benzoate
CID 17178736
3-bromo-4-methoxy-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]benzamide
CID 4502346
4-(2-ethoxyethoxy)-N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]benzamide
CID 17113073
N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17353931
N-(benzylcarbamothioyl)-4-(2-methoxyethoxy)benzamide
CID 17353739
N-[(butanoylamino)carbamothioyl]-4-propoxybenzamide
CID 17340166
N'-(2-naphthalen-1-ylacetyl)-4-prop-2-enoxybenzohydrazide
CID 4925965
N-methyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide
CID 28642901
N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953184
4-(2-methoxyethoxy)-N-(2-methoxyethylcarbamothioyl)benzamide
CID 17353811

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]benzamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]benzamide (CID 17353949) is 4-(2-methoxyethoxy)-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]benzamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]benzamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]benzamide is COCCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2cccc3ccccc23)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]benzamide?
The InChIKey is OEKSKICKDCOJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-29-13-14-30-19-11-9-17(10-12-19)22(28)24-23(31)26-25-21(27)15-18-7-4-6-16-5-2-3-8-20(16)18/h2-12H,13-15H2,1H3,(H,25,27)(H2,24,26,28,31).
What are the key properties of 4-(2-methoxyethoxy)-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]benzamide?
4-(2-methoxyethoxy)-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]benzamide has a molecular weight of 437.52 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]benzamide is sourced from PubChem (CID 17353949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).