N-[(1S,2S)-4,4-difluoro-2-[[4-(5-methyl-1,3-thiazol-2-yl)phenoxy]methyl]cyclohexyl]methanesulfonamide

C18H22F2N2O3S2 — CID 86709016

IUPACN-[(1S,2S)-4,4-difluoro-2-[[4-(5-methyl-1,3-thiazol-2-yl)phenoxy]methyl]cyclohexyl]methanesulfonamide
SMILESCc1cnc(-c2ccc(OC[C@H]3CC(F)(F)CC[C@@H]3NS(C)(=O)=O)cc2)s1
InChIInChI=1S/C18H22F2N2O3S2/c1-12-10-21-17(26-12)13-3-5-15(6-4-13)25-11-14-9-18(19,20)8-7-16(14)22-27(2,23)24/h3-6,10,14,16,22H,7-9,11H2,1-2H3/t14-,16+/m1/s1
InChIKeyWFVWDNRCHGXDFB-ZBFHGGJFSA-N
MW416.52 g/mol
LogP3.85
Rot. Bonds6

About N-[(1S,2S)-4,4-difluoro-2-[[4-(5-methyl-1,3-thiazol-2-yl)phenoxy]methyl]cyclohexyl]methanesulfonamide

N-[(1S,2S)-4,4-difluoro-2-[[4-(5-methyl-1,3-thiazol-2-yl)phenoxy]methyl]cyclohexyl]methanesulfonamide (PubChem CID 86709016) has the molecular formula C18H22F2N2O3S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[(1S,2S)-4,4-difluoro-2-[[4-(5-methyl-1,3-thiazol-2-yl)phenoxy]methyl]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-4,4-difluoro-2-[[4-(5-methyl-1,3-thiazol-2-yl)phenoxy]methyl]cyclohexyl]methanesulfonamide
PubChem CID86709016
Molecular FormulaC18H22F2N2O3S2
Molecular Weight416.52 g/mol
Exact Mass416.10
IUPAC NameN-[(1S,2S)-4,4-difluoro-2-[[4-(5-methyl-1,3-thiazol-2-yl)phenoxy]methyl]cyclohexyl]methanesulfonamide
SMILESCc1cnc(-c2ccc(OC[C@H]3CC(F)(F)CC[C@@H]3NS(C)(=O)=O)cc2)s1
InChIInChI=1S/C18H22F2N2O3S2/c1-12-10-21-17(26-12)13-3-5-15(6-4-13)25-11-14-9-18(19,20)8-7-16(14)22-27(2,23)24/h3-6,10,14,16,22H,7-9,11H2,1-2H3/t14-,16+/m1/s1
InChIKeyWFVWDNRCHGXDFB-ZBFHGGJFSA-N
XLogP3.85
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S,2S)-4,4-difluoro-2-[[4-(5-methyl-1,3-thiazol-2-yl)phenoxy]methyl]cyclohexyl]methanesulfonamide 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

(2,3-Difluoro-4-methoxybenzyl){[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl}amine
CID 50971454
(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 97234662
(1S)-N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 97242264
N-[[2,6-dimethoxy-4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 69713629
N-[[2,6-dimethoxy-4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]methyl]-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 69713630
N-[[2-methoxy-4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 69713844
N-[[2-methoxy-4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]methyl]-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 69714111
N-[[4-[(2,6-difluorophenyl)methoxy]-2,6-dimethoxyphenyl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 69714283
N-[[4-[(2,6-difluorophenyl)methoxy]-2,6-dimethoxyphenyl]methyl]-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 69714285
N-[[4-[(4-fluorophenyl)methoxy]-2,6-dimethoxyphenyl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 69714331
(1S)-N-[[2,6-dimethoxy-4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]methyl]-3-methyl-1-(5-methyl-1,3-thiazol-2-yl)butan-1-amine
CID 69714829
N-[[2,6-dimethoxy-4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]methyl]-3-methyl-4-(5-methyl-1,3-thiazol-2-yl)butan-1-amine
CID 69714831

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-4,4-difluoro-2-[[4-(5-methyl-1,3-thiazol-2-yl)phenoxy]methyl]cyclohexyl]methanesulfonamide?
The IUPAC name of N-[(1S,2S)-4,4-difluoro-2-[[4-(5-methyl-1,3-thiazol-2-yl)phenoxy]methyl]cyclohexyl]methanesulfonamide (CID 86709016) is N-[(1S,2S)-4,4-difluoro-2-[[4-(5-methyl-1,3-thiazol-2-yl)phenoxy]methyl]cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[(1S,2S)-4,4-difluoro-2-[[4-(5-methyl-1,3-thiazol-2-yl)phenoxy]methyl]cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[(1S,2S)-4,4-difluoro-2-[[4-(5-methyl-1,3-thiazol-2-yl)phenoxy]methyl]cyclohexyl]methanesulfonamide is Cc1cnc(-c2ccc(OC[C@H]3CC(F)(F)CC[C@@H]3NS(C)(=O)=O)cc2)s1.
What is the InChIKey of N-[(1S,2S)-4,4-difluoro-2-[[4-(5-methyl-1,3-thiazol-2-yl)phenoxy]methyl]cyclohexyl]methanesulfonamide?
The InChIKey is WFVWDNRCHGXDFB-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H22F2N2O3S2/c1-12-10-21-17(26-12)13-3-5-15(6-4-13)25-11-14-9-18(19,20)8-7-16(14)22-27(2,23)24/h3-6,10,14,16,22H,7-9,11H2,1-2H3/t14-,16+/m1/s1.
What are the key properties of N-[(1S,2S)-4,4-difluoro-2-[[4-(5-methyl-1,3-thiazol-2-yl)phenoxy]methyl]cyclohexyl]methanesulfonamide?
N-[(1S,2S)-4,4-difluoro-2-[[4-(5-methyl-1,3-thiazol-2-yl)phenoxy]methyl]cyclohexyl]methanesulfonamide has a molecular weight of 416.52 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-4,4-difluoro-2-[[4-(5-methyl-1,3-thiazol-2-yl)phenoxy]methyl]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 86709016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).