N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide

C22H27FN2O3S — CID 86935171

IUPACN-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1ccccc1CC(=O)NCC1(c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C22H27FN2O3S/c1-29(27,28)25-20-8-4-3-7-17(20)15-21(26)24-16-22(13-5-2-6-14-22)18-9-11-19(23)12-10-18/h3-4,7-12,25H,2,5-6,13-16H2,1H3,(H,24,26)
InChIKeyDTMGWPHCVJWODA-UHFFFAOYSA-N
MW418.53 g/mol
LogP3.76
Rot. Bonds7

About N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide

N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide (PubChem CID 86935171) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide
PubChem CID86935171
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC NameN-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1ccccc1CC(=O)NCC1(c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C22H27FN2O3S/c1-29(27,28)25-20-8-4-3-7-17(20)15-21(26)24-16-22(13-5-2-6-14-22)18-9-11-19(23)12-10-18/h3-4,7-12,25H,2,5-6,13-16H2,1H3,(H,24,26)
InChIKeyDTMGWPHCVJWODA-UHFFFAOYSA-N
XLogP3.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(methanesulfonamido)phenyl]methyl]-2-methyl-3-[(1-phenylcyclopentyl)methyl]guanidine
CID 111852576
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 32545358
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
(2S)-2-(benzenesulfonamido)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]propanamide
CID 55941118
1-[[2-(methanesulfonamido)phenyl]methyl]-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111856341
3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide
CID 56500429
4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120561267
2-[2-(methanesulfonamido)phenyl]-N-methylacetamide
CID 61061403
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119950889
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 46700398
1-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-methylguanidine
CID 110930692

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide (CID 86935171) is N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide is CS(=O)(=O)Nc1ccccc1CC(=O)NCC1(c2ccc(F)cc2)CCCCC1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide?
The InChIKey is DTMGWPHCVJWODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c1-29(27,28)25-20-8-4-3-7-17(20)15-21(26)24-16-22(13-5-2-6-14-22)18-9-11-19(23)12-10-18/h3-4,7-12,25H,2,5-6,13-16H2,1H3,(H,24,26).
What are the key properties of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide?
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide has a molecular weight of 418.53 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide is sourced from PubChem (CID 86935171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).