[3-[(2-methoxy-5-methylphenyl)sulfonylamino]cyclohexyl] N-(4-fluorophenyl)carbamate

C21H25FN2O5S — CID 71794354

IUPAC[3-[(2-methoxy-5-methylphenyl)sulfonylamino]cyclohexyl] N-(4-fluorophenyl)carbamate
SMILESCOc1ccc(C)cc1S(=O)(=O)NC1CCCC(OC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C21H25FN2O5S/c1-14-6-11-19(28-2)20(12-14)30(26,27)24-17-4-3-5-18(13-17)29-21(25)23-16-9-7-15(22)8-10-16/h6-12,17-18,24H,3-5,13H2,1-2H3,(H,23,25)
InChIKeyUONXDFATPMSJPD-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.98
Rot. Bonds6

About [3-[(2-methoxy-5-methylphenyl)sulfonylamino]cyclohexyl] N-(4-fluorophenyl)carbamate

[3-[(2-methoxy-5-methylphenyl)sulfonylamino]cyclohexyl] N-(4-fluorophenyl)carbamate (PubChem CID 71794354) has the molecular formula C21H25FN2O5S and a molecular weight of 436.51 g/mol. Its IUPAC name is [3-[(2-methoxy-5-methylphenyl)sulfonylamino]cyclohexyl] N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name[3-[(2-methoxy-5-methylphenyl)sulfonylamino]cyclohexyl] N-(4-fluorophenyl)carbamate
PubChem CID71794354
Molecular FormulaC21H25FN2O5S
Molecular Weight436.51 g/mol
Exact Mass436.15
IUPAC Name[3-[(2-methoxy-5-methylphenyl)sulfonylamino]cyclohexyl] N-(4-fluorophenyl)carbamate
SMILESCOc1ccc(C)cc1S(=O)(=O)NC1CCCC(OC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C21H25FN2O5S/c1-14-6-11-19(28-2)20(12-14)30(26,27)24-17-4-3-5-18(13-17)29-21(25)23-16-9-7-15(22)8-10-16/h6-12,17-18,24H,3-5,13H2,1-2H3,(H,23,25)
InChIKeyUONXDFATPMSJPD-UHFFFAOYSA-N
XLogP3.98
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(2,5-dimethylphenyl)sulfonylamino]cyclohexyl] N-phenylcarbamate
CID 71794310
[(1R,3S)-3-(cyclobutanecarbonylamino)cyclohexyl] N-(4-fluorophenyl)carbamate
CID 95985844
(3R)-N-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126396882
N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide
CID 172906018
N-(4-fluorophenyl)-5-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide
CID 146255968
[(1S,3R)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate
CID 95985836
[(1R,3S)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate
CID 95985839
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide
CID 63252483
[(1R,3S)-3-[[(2S)-2-phenoxypropanoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate
CID 98766114
3-cyclopentyloxy-N-(4-fluorophenyl)-4-methoxybenzamide
CID 10404302
[(1S,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]cyclohexyl] N-phenylcarbamate
CID 95985787

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methoxy-5-methylphenyl)sulfonylamino]cyclohexyl] N-(4-fluorophenyl)carbamate?
The IUPAC name of [3-[(2-methoxy-5-methylphenyl)sulfonylamino]cyclohexyl] N-(4-fluorophenyl)carbamate (CID 71794354) is [3-[(2-methoxy-5-methylphenyl)sulfonylamino]cyclohexyl] N-(4-fluorophenyl)carbamate.
What is the SMILES notation for [3-[(2-methoxy-5-methylphenyl)sulfonylamino]cyclohexyl] N-(4-fluorophenyl)carbamate?
The canonical SMILES for [3-[(2-methoxy-5-methylphenyl)sulfonylamino]cyclohexyl] N-(4-fluorophenyl)carbamate is COc1ccc(C)cc1S(=O)(=O)NC1CCCC(OC(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of [3-[(2-methoxy-5-methylphenyl)sulfonylamino]cyclohexyl] N-(4-fluorophenyl)carbamate?
The InChIKey is UONXDFATPMSJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O5S/c1-14-6-11-19(28-2)20(12-14)30(26,27)24-17-4-3-5-18(13-17)29-21(25)23-16-9-7-15(22)8-10-16/h6-12,17-18,24H,3-5,13H2,1-2H3,(H,23,25).
What are the key properties of [3-[(2-methoxy-5-methylphenyl)sulfonylamino]cyclohexyl] N-(4-fluorophenyl)carbamate?
[3-[(2-methoxy-5-methylphenyl)sulfonylamino]cyclohexyl] N-(4-fluorophenyl)carbamate has a molecular weight of 436.51 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methoxy-5-methylphenyl)sulfonylamino]cyclohexyl] N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 71794354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).