N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide

C22H27FN2O3S — CID 95086523

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(c2ccc(NS(C)(=O)=O)cc2)CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C22H27FN2O3S/c1-16(17-6-10-19(23)11-7-17)24-21(26)22(14-4-3-5-15-22)18-8-12-20(13-9-18)25-29(2,27)28/h6-13,16,25H,3-5,14-15H2,1-2H3,(H,24,26)/t16-/m1/s1
InChIKeyIPWIPCFDXAPXMV-MRXNPFEDSA-N
MW418.53 g/mol
LogP4.28
Rot. Bonds6

About N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide (PubChem CID 95086523) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
PubChem CID95086523
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(c2ccc(NS(C)(=O)=O)cc2)CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C22H27FN2O3S/c1-16(17-6-10-19(23)11-7-17)24-21(26)22(14-4-3-5-15-22)18-8-12-20(13-9-18)25-29(2,27)28/h6-13,16,25H,3-5,14-15H2,1-2H3,(H,24,26)/t16-/m1/s1
InChIKeyIPWIPCFDXAPXMV-MRXNPFEDSA-N
XLogP4.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 53110461
N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 133165833
N-[1-(4-cyanophenyl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 56811633
N-[1-(4-fluorophenyl)ethyl]-4-imino-1-phenylcycloheptane-1-carboxamide
CID 90916654
1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81350015
N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 46541078
1-(4-bromophenyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide
CID 55962698
(E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 24685920
1-(4-fluorophenyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 30840348
4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide
CID 59527765
1-cyano-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 61459924
1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)cyclopentane-1-carboxamide
CID 46642602

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide (CID 95086523) is N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide is C[C@@H](NC(=O)C1(c2ccc(NS(C)(=O)=O)cc2)CCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide?
The InChIKey is IPWIPCFDXAPXMV-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c1-16(17-6-10-19(23)11-7-17)24-21(26)22(14-4-3-5-15-22)18-8-12-20(13-9-18)25-29(2,27)28/h6-13,16,25H,3-5,14-15H2,1-2H3,(H,24,26)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide has a molecular weight of 418.53 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 95086523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).