2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-(4-methylsulfanylphenyl)propanamide

C19H22F2N2O2S — CID 112814962

IUPAC2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)C(C)NC(C)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C19H22F2N2O2S/c1-12(14-4-8-16(9-5-14)25-19(20)21)22-13(2)18(24)23-15-6-10-17(26-3)11-7-15/h4-13,19,22H,1-3H3,(H,23,24)
InChIKeyCMNCBTNVGOJYGK-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.69
Rot. Bonds8

About 2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-(4-methylsulfanylphenyl)propanamide

2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-(4-methylsulfanylphenyl)propanamide (PubChem CID 112814962) has the molecular formula C19H22F2N2O2S and a molecular weight of 380.46 g/mol. Its IUPAC name is 2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-(4-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-(4-methylsulfanylphenyl)propanamide
PubChem CID112814962
Molecular FormulaC19H22F2N2O2S
Molecular Weight380.46 g/mol
Exact Mass380.14
IUPAC Name2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)C(C)NC(C)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C19H22F2N2O2S/c1-12(14-4-8-16(9-5-14)25-19(20)21)22-13(2)18(24)23-15-6-10-17(26-3)11-7-15/h4-13,19,22H,1-3H3,(H,23,24)
InChIKeyCMNCBTNVGOJYGK-UHFFFAOYSA-N
XLogP4.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 43103644
(2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893786
N-[4-(difluoromethoxy)phenyl]-2-(4-methylsulfanylphenoxy)acetamide
CID 7893735
(2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 32554575
2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(4-methylsulfanylphenyl)propanamide
CID 112811651
N-tert-butyl-2-[1-(4-methylsulfanylphenyl)ethylamino]propanamide
CID 115581036
N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide
CID 17464128
(2R)-N-(4-methoxyphenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 25435383
(2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 9248611
2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-[1-(2-methylphenyl)ethyl]propanamide
CID 112814957
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-1-methylsulfanylpropan-2-amine
CID 115663811
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-(4-methylsulfanylphenyl)propanamide?
The IUPAC name of 2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-(4-methylsulfanylphenyl)propanamide (CID 112814962) is 2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-(4-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-(4-methylsulfanylphenyl)propanamide?
The canonical SMILES for 2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-(4-methylsulfanylphenyl)propanamide is CSc1ccc(NC(=O)C(C)NC(C)c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of 2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-(4-methylsulfanylphenyl)propanamide?
The InChIKey is CMNCBTNVGOJYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2S/c1-12(14-4-8-16(9-5-14)25-19(20)21)22-13(2)18(24)23-15-6-10-17(26-3)11-7-15/h4-13,19,22H,1-3H3,(H,23,24).
What are the key properties of 2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-(4-methylsulfanylphenyl)propanamide?
2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-(4-methylsulfanylphenyl)propanamide has a molecular weight of 380.46 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-(4-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 112814962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).