2-butylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide

C18H25F3N2O2S — CID 112781252

IUPAC2-butylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
SMILESCCCCSC(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C18H25F3N2O2S/c1-3-4-11-26-13(2)17(24)22-15-12-14(18(19,20)21)5-6-16(15)23-7-9-25-10-8-23/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,22,24)
InChIKeyNMLQOLSXNBVNLN-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.40
Rot. Bonds7

About 2-butylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide

2-butylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 112781252) has the molecular formula C18H25F3N2O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-butylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
PubChem CID112781252
Molecular FormulaC18H25F3N2O2S
Molecular Weight390.47 g/mol
Exact Mass390.16
IUPAC Name2-butylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
SMILESCCCCSC(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C18H25F3N2O2S/c1-3-4-11-26-13(2)17(24)22-15-12-14(18(19,20)21)5-6-16(15)23-7-9-25-10-8-23/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,22,24)
InChIKeyNMLQOLSXNBVNLN-UHFFFAOYSA-N
XLogP4.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.40
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-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 51331092
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 4883433
3-methylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 2541397
1-tert-butyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 78786583
1-butyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]thiourea
CID 4616601
2-(4-methylsulfanylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 78760017
2-(2-ethoxyanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 4880385
(2S)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 41093685
2-[bis(2-methylpropyl)amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 55437577
2-(3-methylanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 42911850
2-[methyl-[(4-methylphenyl)methyl]amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 42912272
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 4676497

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-butylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide (CID 112781252) is 2-butylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-butylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-butylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide is CCCCSC(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 2-butylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is NMLQOLSXNBVNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2S/c1-3-4-11-26-13(2)17(24)22-15-12-14(18(19,20)21)5-6-16(15)23-7-9-25-10-8-23/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,22,24).
What are the key properties of 2-butylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
2-butylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 390.47 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 112781252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).