N-(2-methoxyethyl)-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide

C26H27N3O5S — CID 17150503

IUPACN-(2-methoxyethyl)-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C26H27N3O5S/c1-32-15-14-27-25(31)22-12-5-6-13-23(22)28-26(35)29-24(30)19-8-7-11-21(18-19)34-17-16-33-20-9-3-2-4-10-20/h2-13,18H,14-17H2,1H3,(H,27,31)(H2,28,29,30,35)
InChIKeyKNRVZKBYCKMOIK-UHFFFAOYSA-N
MW493.59 g/mol
LogP3.65
Rot. Bonds11

About N-(2-methoxyethyl)-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide

N-(2-methoxyethyl)-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide (PubChem CID 17150503) has the molecular formula C26H27N3O5S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide
PubChem CID17150503
Molecular FormulaC26H27N3O5S
Molecular Weight493.59 g/mol
Exact Mass493.17
IUPAC NameN-(2-methoxyethyl)-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C26H27N3O5S/c1-32-15-14-27-25(31)22-12-5-6-13-23(22)28-26(35)29-24(30)19-8-7-11-21(18-19)34-17-16-33-20-9-3-2-4-10-20/h2-13,18H,14-17H2,1H3,(H,27,31)(H2,28,29,30,35)
InChIKeyKNRVZKBYCKMOIK-UHFFFAOYSA-N
XLogP3.65
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N-(3-methoxypropyl)benzamide
CID 17148501
N-(2-methoxyethyl)-2-[[2-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17150502
N-(2-methoxyethyl)-3-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17219311
2-[(3-ethoxybenzoyl)carbamothioylamino]-N-ethylbenzamide
CID 4957748
N-(2-hydroxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17351324
N-benzyl-2-[(3-ethoxybenzoyl)carbamothioylamino]benzamide
CID 4957707
N-(2-methoxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17150371
N-(2-methoxyethyl)-3-[[3-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 17219345
2-[(4-fluorobenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide
CID 17150463
N-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17218517
N-tert-butyl-2-[[3-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 17134713
2-[(3-butoxybenzoyl)carbamothioylamino]-N-propan-2-ylbenzamide
CID 4957132

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide (CID 17150503) is N-(2-methoxyethyl)-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide is COCCNC(=O)c1ccccc1NC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of N-(2-methoxyethyl)-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide?
The InChIKey is KNRVZKBYCKMOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5S/c1-32-15-14-27-25(31)22-12-5-6-13-23(22)28-26(35)29-24(30)19-8-7-11-21(18-19)34-17-16-33-20-9-3-2-4-10-20/h2-13,18H,14-17H2,1H3,(H,27,31)(H2,28,29,30,35).
What are the key properties of N-(2-methoxyethyl)-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide?
N-(2-methoxyethyl)-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide has a molecular weight of 493.59 g/mol, XLogP of 3.65, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide is sourced from PubChem (CID 17150503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).