2-(2-methoxyethoxy)-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide

C25H25N3O5S — CID 17356241

IUPAC2-(2-methoxyethoxy)-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
SMILESCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C25H25N3O5S/c1-31-15-16-32-21-13-7-5-11-19(21)23(29)26-25(34)28-27-24(30)20-12-6-8-14-22(20)33-17-18-9-3-2-4-10-18/h2-14H,15-17H2,1H3,(H,27,30)(H2,26,28,29,34)
InChIKeyOHRMTGIAYUOFKP-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.24
Rot. Bonds9

About 2-(2-methoxyethoxy)-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide

2-(2-methoxyethoxy)-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide (PubChem CID 17356241) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
PubChem CID17356241
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC Name2-(2-methoxyethoxy)-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
SMILESCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C25H25N3O5S/c1-31-15-16-32-21-13-7-5-11-19(21)23(29)26-25(34)28-27-24(30)20-12-6-8-14-22(20)33-17-18-9-3-2-4-10-18/h2-14H,15-17H2,1H3,(H,27,30)(H2,26,28,29,34)
InChIKeyOHRMTGIAYUOFKP-UHFFFAOYSA-N
XLogP3.24
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-(2-methoxyethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17093705
2-(2-phenoxyethoxy)-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 4954822
N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17356225
3-iodo-4-methoxy-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 4938197
3-bromo-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]-4-propoxybenzamide
CID 17343234
2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4941310
N'-[4-(2-methoxyethoxy)benzoyl]-2-phenylmethoxybenzohydrazide
CID 17353669
2-butoxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide
CID 4941755
3-chloro-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 4938260
2-chloro-N-[[(2-propoxybenzoyl)amino]carbamothioyl]benzamide
CID 4931749
3-iodo-4-methyl-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 4938215
ethyl (E)-4-oxo-4-[[(2-phenylmethoxybenzoyl)amino]carbamothioylamino]but-2-enoate
CID 6234490

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide (CID 17356241) is 2-(2-methoxyethoxy)-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide is COCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide?
The InChIKey is OHRMTGIAYUOFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c1-31-15-16-32-21-13-7-5-11-19(21)23(29)26-25(34)28-27-24(30)20-12-6-8-14-22(20)33-17-18-9-3-2-4-10-18/h2-14H,15-17H2,1H3,(H,27,30)(H2,26,28,29,34).
What are the key properties of 2-(2-methoxyethoxy)-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide?
2-(2-methoxyethoxy)-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide has a molecular weight of 479.56 g/mol, XLogP of 3.24, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide is sourced from PubChem (CID 17356241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).