N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide

C22H25N3O4S — CID 17045876

IUPACN-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccccc1C(=O)NC(=S)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C22H25N3O4S/c1-15(2)29-19-10-6-4-8-17(19)20(26)24-22(30)23-18-9-5-3-7-16(18)21(27)25-11-13-28-14-12-25/h3-10,15H,11-14H2,1-2H3,(H2,23,24,26,30)
InChIKeyOSJXGAYUPOXJPN-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.07
Rot. Bonds5

About N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide

N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide (PubChem CID 17045876) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
PubChem CID17045876
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccccc1C(=O)NC(=S)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C22H25N3O4S/c1-15(2)29-19-10-6-4-8-17(19)20(26)24-22(30)23-18-9-5-3-7-16(18)21(27)25-11-13-28-14-12-25/h3-10,15H,11-14H2,1-2H3,(H2,23,24,26,30)
InChIKeyOSJXGAYUPOXJPN-UHFFFAOYSA-N
XLogP3.07
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17195062
5-bromo-2-propan-2-yloxy-N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17052032
4-fluoro-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide
CID 4933228
3-butan-2-yloxy-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide
CID 17150087
N-ethyl-2-[(2-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 17045912
N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4933178
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-ethoxybenzamide
CID 4926917
methyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate
CID 740590
N-(1-phenylethyl)-2-[(2-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 17045880
N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-4-propoxybenzamide
CID 4938956
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-propoxybenzamide
CID 4948823
N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]tetradecanamide
CID 54791918

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide?
The IUPAC name of N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide (CID 17045876) is N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide is CC(C)Oc1ccccc1C(=O)NC(=S)Nc1ccccc1C(=O)N1CCOCC1.
What is the InChIKey of N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide?
The InChIKey is OSJXGAYUPOXJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-15(2)29-19-10-6-4-8-17(19)20(26)24-22(30)23-18-9-5-3-7-16(18)21(27)25-11-13-28-14-12-25/h3-10,15H,11-14H2,1-2H3,(H2,23,24,26,30).
What are the key properties of N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide?
N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide has a molecular weight of 427.53 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 17045876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).