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

C22H25N3O4S — CID 17195062

IUPACN-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccccc1C(=O)NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H25N3O4S/c1-15(2)29-19-6-4-3-5-18(19)20(26)24-22(30)23-17-9-7-16(8-10-17)21(27)25-11-13-28-14-12-25/h3-10,15H,11-14H2,1-2H3,(H2,23,24,26,30)
InChIKeyRUAFOWSRDQGOOX-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.07
Rot. Bonds5

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

N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide (PubChem CID 17195062) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
PubChem CID17195062
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccccc1C(=O)NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H25N3O4S/c1-15(2)29-19-6-4-3-5-18(19)20(26)24-22(30)23-17-9-7-16(8-10-17)21(27)25-11-13-28-14-12-25/h3-10,15H,11-14H2,1-2H3,(H2,23,24,26,30)
InChIKeyRUAFOWSRDQGOOX-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-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045876
2-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 26168076
2,2-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]propanamide
CID 17195011
2-(2-methoxyphenoxy)-N-[4-(morpholine-4-carbonyl)phenyl]propanamide
CID 17194742
5-bromo-2-(3-methylbutoxy)-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide
CID 17195053
3-iodo-4-methoxy-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide
CID 17194981
2-chloro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17196594
N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-phenylacetamide
CID 17194989
3-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
CID 17194977
2-(2-ethoxyethoxy)-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 26168152
N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 17199366
N-[4-(morpholine-4-carbonyl)phenyl]-2,3-di(propan-2-yl)benzamide
CID 175025885

Frequently Asked Questions

What is the IUPAC name of N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide?
The IUPAC name of N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide (CID 17195062) is N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide is CC(C)Oc1ccccc1C(=O)NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide?
The InChIKey is RUAFOWSRDQGOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-15(2)29-19-6-4-3-5-18(19)20(26)24-22(30)23-17-9-7-16(8-10-17)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-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide?
N-[[4-(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-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 17195062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).