4-(difluoromethylsulfanyl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]benzamide

C17H16F5NO3S — CID 38789680

IUPAC4-(difluoromethylsulfanyl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]benzamide
SMILESCc1ccc([C@](O)(CCNC(=O)c2ccc(SC(F)F)cc2)C(F)(F)F)o1
InChIInChI=1S/C17H16F5NO3S/c1-10-2-7-13(26-10)16(25,17(20,21)22)8-9-23-14(24)11-3-5-12(6-4-11)27-15(18)19/h2-7,15,25H,8-9H2,1H3,(H,23,24)/t16-/m1/s1
InChIKeyKPLGRNXGRHDGQL-MRXNPFEDSA-N
MW409.38 g/mol
LogP4.47
Rot. Bonds7

About 4-(difluoromethylsulfanyl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]benzamide

4-(difluoromethylsulfanyl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]benzamide (PubChem CID 38789680) has the molecular formula C17H16F5NO3S and a molecular weight of 409.38 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]benzamide
PubChem CID38789680
Molecular FormulaC17H16F5NO3S
Molecular Weight409.38 g/mol
Exact Mass409.08
IUPAC Name4-(difluoromethylsulfanyl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]benzamide
SMILESCc1ccc([C@](O)(CCNC(=O)c2ccc(SC(F)F)cc2)C(F)(F)F)o1
InChIInChI=1S/C17H16F5NO3S/c1-10-2-7-13(26-10)16(25,17(20,21)22)8-9-23-14(24)11-3-5-12(6-4-11)27-15(18)19/h2-7,15,25H,8-9H2,1H3,(H,23,24)/t16-/m1/s1
InChIKeyKPLGRNXGRHDGQL-MRXNPFEDSA-N
XLogP4.47
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.38
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(difluoromethylsulfanyl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]pyrrolidine-1-carboxamide
CID 94021046
N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]cyclobutanecarboxamide
CID 94144374
4-(difluoromethylsulfanyl)-N-(3-hydroxybutyl)benzamide
CID 111429189
4-(difluoromethylsulfanyl)-N-[2-(ethylamino)ethyl]benzamide
CID 119507253
4-(2-fluorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]piperazine-1-carboxamide
CID 42954471
4-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 87043594
4,4,4-trifluoro-3-hydroxy-N-(3-methylbutyl)-3-(5-methylfuran-2-yl)butanamide
CID 110883203
3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249800
N-[2-[[4-(difluoromethylsulfanyl)benzoyl]amino]ethyl]-2-hydroxybenzamide
CID 60572220
4-(difluoromethylsulfanyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452036
N-[4-[1-[[4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]carbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 43061381
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3,4-dimethylbenzamide
CID 111481218

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]benzamide (CID 38789680) is 4-(difluoromethylsulfanyl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]benzamide is Cc1ccc([C@](O)(CCNC(=O)c2ccc(SC(F)F)cc2)C(F)(F)F)o1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]benzamide?
The InChIKey is KPLGRNXGRHDGQL-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16F5NO3S/c1-10-2-7-13(26-10)16(25,17(20,21)22)8-9-23-14(24)11-3-5-12(6-4-11)27-15(18)19/h2-7,15,25H,8-9H2,1H3,(H,23,24)/t16-/m1/s1.
What are the key properties of 4-(difluoromethylsulfanyl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]benzamide?
4-(difluoromethylsulfanyl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]benzamide has a molecular weight of 409.38 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]benzamide is sourced from PubChem (CID 38789680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).