2-butylsulfanyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide

C18H26N2O3S — CID 55924517

IUPAC2-butylsulfanyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
SMILESCCCCSC(C)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C18H26N2O3S/c1-3-4-12-24-14(2)17(21)19-16-7-5-6-15(13-16)18(22)20-8-10-23-11-9-20/h5-7,13-14H,3-4,8-12H2,1-2H3,(H,19,21)
InChIKeyHZJAFUJPKVHOIQ-UHFFFAOYSA-N
MW350.48 g/mol
LogP3.02
Rot. Bonds7

About 2-butylsulfanyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide

2-butylsulfanyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide (PubChem CID 55924517) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 2-butylsulfanyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
PubChem CID55924517
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name2-butylsulfanyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
SMILESCCCCSC(C)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C18H26N2O3S/c1-3-4-12-24-14(2)17(21)19-16-7-5-6-15(13-16)18(22)20-8-10-23-11-9-20/h5-7,13-14H,3-4,8-12H2,1-2H3,(H,19,21)
InChIKeyHZJAFUJPKVHOIQ-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
N-[3-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]hexanamide
CID 54836346
(2S)-2-(4-methylphenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]butanamide
CID 42579577
2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 46736679
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 55597478
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822646
N-[4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836996
N-[3-(morpholine-4-carbonyl)phenyl]-3-propoxybenzamide
CID 17205539
1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 78894338
(E)-4-[3-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid
CID 17205425
2-phenylsulfanyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 86928580

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide?
The IUPAC name of 2-butylsulfanyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide (CID 55924517) is 2-butylsulfanyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide.
What is the SMILES notation for 2-butylsulfanyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide?
The canonical SMILES for 2-butylsulfanyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide is CCCCSC(C)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of 2-butylsulfanyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide?
The InChIKey is HZJAFUJPKVHOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-3-4-12-24-14(2)17(21)19-16-7-5-6-15(13-16)18(22)20-8-10-23-11-9-20/h5-7,13-14H,3-4,8-12H2,1-2H3,(H,19,21).
What are the key properties of 2-butylsulfanyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide?
2-butylsulfanyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide has a molecular weight of 350.48 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide is sourced from PubChem (CID 55924517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).