4-butan-2-yloxy-N-(morpholine-4-carbothioyl)benzamide

C16H22N2O3S — CID 17141521

IUPAC4-butan-2-yloxy-N-(morpholine-4-carbothioyl)benzamide
SMILESCCC(C)Oc1ccc(C(=O)NC(=S)N2CCOCC2)cc1
InChIInChI=1S/C16H22N2O3S/c1-3-12(2)21-14-6-4-13(5-7-14)15(19)17-16(22)18-8-10-20-11-9-18/h4-7,12H,3,8-11H2,1-2H3,(H,17,19,22)
InChIKeyYFNFDLOFICARGJ-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.21
Rot. Bonds4

About 4-butan-2-yloxy-N-(morpholine-4-carbothioyl)benzamide

4-butan-2-yloxy-N-(morpholine-4-carbothioyl)benzamide (PubChem CID 17141521) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-(morpholine-4-carbothioyl)benzamide.

Molecular Properties

Compound Name4-butan-2-yloxy-N-(morpholine-4-carbothioyl)benzamide
PubChem CID17141521
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name4-butan-2-yloxy-N-(morpholine-4-carbothioyl)benzamide
SMILESCCC(C)Oc1ccc(C(=O)NC(=S)N2CCOCC2)cc1
InChIInChI=1S/C16H22N2O3S/c1-3-12(2)21-14-6-4-13(5-7-14)15(19)17-16(22)18-8-10-20-11-9-18/h4-7,12H,3,8-11H2,1-2H3,(H,17,19,22)
InChIKeyYFNFDLOFICARGJ-UHFFFAOYSA-N
XLogP2.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[(4-butan-2-yloxybenzoyl)carbamothioyl]piperidine-4-carboxylate
CID 17231099
4-heptoxy-N-(morpholine-4-carbothioyl)benzamide
CID 4950894
4-butan-2-yloxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 3287448
4-tert-butyl-N-(morpholine-4-carbothioyl)benzamide
CID 2732832
4-ethoxy-N-(pyrrolidine-1-carbothioyl)benzamide
CID 4948914
4-butan-2-yloxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 2940925
4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide
CID 833404
N-(azepane-1-carbothioyl)-4-(3-methylbutoxy)benzamide
CID 4949027
3-butan-2-yloxy-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide
CID 17150087
4-butan-2-yloxy-N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17141594
ethyl 1-[(3-butan-2-yloxybenzoyl)carbamothioyl]piperidine-4-carboxylate
CID 17231101
3-methoxy-N-(morpholine-4-carbothioyl)benzamide
CID 5372118

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N-(morpholine-4-carbothioyl)benzamide?
The IUPAC name of 4-butan-2-yloxy-N-(morpholine-4-carbothioyl)benzamide (CID 17141521) is 4-butan-2-yloxy-N-(morpholine-4-carbothioyl)benzamide.
What is the SMILES notation for 4-butan-2-yloxy-N-(morpholine-4-carbothioyl)benzamide?
The canonical SMILES for 4-butan-2-yloxy-N-(morpholine-4-carbothioyl)benzamide is CCC(C)Oc1ccc(C(=O)NC(=S)N2CCOCC2)cc1.
What is the InChIKey of 4-butan-2-yloxy-N-(morpholine-4-carbothioyl)benzamide?
The InChIKey is YFNFDLOFICARGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-3-12(2)21-14-6-4-13(5-7-14)15(19)17-16(22)18-8-10-20-11-9-18/h4-7,12H,3,8-11H2,1-2H3,(H,17,19,22).
What are the key properties of 4-butan-2-yloxy-N-(morpholine-4-carbothioyl)benzamide?
4-butan-2-yloxy-N-(morpholine-4-carbothioyl)benzamide has a molecular weight of 322.43 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N-(morpholine-4-carbothioyl)benzamide is sourced from PubChem (CID 17141521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).