N-[4-(difluoromethylsulfanyl)phenyl]-3-morpholin-4-ylpropanamide

C14H18F2N2O2S — CID 136580272

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C14H18F2N2O2S/c15-14(16)21-12-3-1-11(2-4-12)17-13(19)5-6-18-7-9-20-10-8-18/h1-4,14H,5-10H2,(H,17,19)
InChIKeyNDZFVSXFBIVKEH-UHFFFAOYSA-N
MW316.37 g/mol
LogP2.66
Rot. Bonds6

About N-[4-(difluoromethylsulfanyl)phenyl]-3-morpholin-4-ylpropanamide

N-[4-(difluoromethylsulfanyl)phenyl]-3-morpholin-4-ylpropanamide (PubChem CID 136580272) has the molecular formula C14H18F2N2O2S and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-3-morpholin-4-ylpropanamide
PubChem CID136580272
Molecular FormulaC14H18F2N2O2S
Molecular Weight316.37 g/mol
Exact Mass316.11
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C14H18F2N2O2S/c15-14(16)21-12-3-1-11(2-4-12)17-13(19)5-6-18-7-9-20-10-8-18/h1-4,14H,5-10H2,(H,17,19)
InChIKeyNDZFVSXFBIVKEH-UHFFFAOYSA-N
XLogP2.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide
CID 16779088
1-[4-(difluoromethylsulfanyl)phenyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 2373595
3-(4-hydroxypiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 46683230
N-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62058920
N-[4-(difluoromethylsulfanyl)phenyl]morpholine-4-carbothioamide
CID 8620460
N-(4-aminophenyl)-4-morpholin-4-ylbutanamide
CID 16779642
5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
CID 43440240
3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide
CID 119849282
3-(4-chlorophenyl)sulfanyl-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide
CID 55905661
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
3-(2-morpholin-4-ylethylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 109016776
4-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]butanamide
CID 119860982

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-3-morpholin-4-ylpropanamide (CID 136580272) is N-[4-(difluoromethylsulfanyl)phenyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-3-morpholin-4-ylpropanamide is O=C(CCN1CCOCC1)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-3-morpholin-4-ylpropanamide?
The InChIKey is NDZFVSXFBIVKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2S/c15-14(16)21-12-3-1-11(2-4-12)17-13(19)5-6-18-7-9-20-10-8-18/h1-4,14H,5-10H2,(H,17,19).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-3-morpholin-4-ylpropanamide?
N-[4-(difluoromethylsulfanyl)phenyl]-3-morpholin-4-ylpropanamide has a molecular weight of 316.37 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 136580272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).