N-(2-hydroxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide

C25H25N3O5S — CID 17351324

IUPACN-(2-hydroxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide
SMILESO=C(NC(=S)Nc1ccccc1C(=O)NCCO)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C25H25N3O5S/c29-15-14-26-24(31)21-8-4-5-9-22(21)27-25(34)28-23(30)18-10-12-20(13-11-18)33-17-16-32-19-6-2-1-3-7-19/h1-13,29H,14-17H2,(H,26,31)(H2,27,28,30,34)
InChIKeyOWMXQCOUCMKFIS-UHFFFAOYSA-N
MW479.56 g/mol
LogP2.99
Rot. Bonds10

About N-(2-hydroxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide

N-(2-hydroxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide (PubChem CID 17351324) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide
PubChem CID17351324
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC NameN-(2-hydroxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide
SMILESO=C(NC(=S)Nc1ccccc1C(=O)NCCO)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C25H25N3O5S/c29-15-14-26-24(31)21-8-4-5-9-22(21)27-25(34)28-23(30)18-10-12-20(13-11-18)33-17-16-32-19-6-2-1-3-7-19/h1-13,29H,14-17H2,(H,26,31)(H2,27,28,30,34)
InChIKeyOWMXQCOUCMKFIS-UHFFFAOYSA-N
XLogP2.99
TPSA108.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 52.99
H-Bond Donors ≤ 54
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

N-(2-hydroxyethyl)-2-[(4-propoxybenzoyl)carbamothioylamino]benzamide
CID 17351313
2-[(4-hexoxybenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide
CID 17351308
N-(2-hydroxyethyl)-2-[(4-methoxybenzoyl)carbamothioylamino]benzamide
CID 17351262
2-[[4-(2-phenylethoxy)benzoyl]carbamothioylamino]-N-(2-phenylethyl)benzamide
CID 4956940
2-[(4-butoxybenzoyl)carbamothioylamino]-N-butylbenzamide
CID 17149493
methyl 2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzoate
CID 4953056
2-[(4-chlorobenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide
CID 17351252
N-(2-methoxyethyl)-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17150503
N-(2-methoxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17150371
N-(2-methoxyethyl)-2-[[2-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17150502
N-[(2-methoxyphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953061
N-phenyl-2-[[4-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 4956837

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide (CID 17351324) is N-(2-hydroxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide is O=C(NC(=S)Nc1ccccc1C(=O)NCCO)c1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide?
The InChIKey is OWMXQCOUCMKFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c29-15-14-26-24(31)21-8-4-5-9-22(21)27-25(34)28-23(30)18-10-12-20(13-11-18)33-17-16-32-19-6-2-1-3-7-19/h1-13,29H,14-17H2,(H,26,31)(H2,27,28,30,34).
What are the key properties of N-(2-hydroxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide?
N-(2-hydroxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide has a molecular weight of 479.56 g/mol, XLogP of 2.99, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide is sourced from PubChem (CID 17351324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).