[3-[(2,5-dimethylphenyl)sulfonylamino]cyclohexyl] N-phenylcarbamate

C21H26N2O4S — CID 71794310

IUPAC[3-[(2,5-dimethylphenyl)sulfonylamino]cyclohexyl] N-phenylcarbamate
SMILESCc1ccc(C)c(S(=O)(=O)NC2CCCC(OC(=O)Nc3ccccc3)C2)c1
InChIInChI=1S/C21H26N2O4S/c1-15-11-12-16(2)20(13-15)28(25,26)23-18-9-6-10-19(14-18)27-21(24)22-17-7-4-3-5-8-17/h3-5,7-8,11-13,18-19,23H,6,9-10,14H2,1-2H3,(H,22,24)
InChIKeyIFRLNOJDKSSMMF-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.14
Rot. Bonds5

About [3-[(2,5-dimethylphenyl)sulfonylamino]cyclohexyl] N-phenylcarbamate

[3-[(2,5-dimethylphenyl)sulfonylamino]cyclohexyl] N-phenylcarbamate (PubChem CID 71794310) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is [3-[(2,5-dimethylphenyl)sulfonylamino]cyclohexyl] N-phenylcarbamate.

Molecular Properties

Compound Name[3-[(2,5-dimethylphenyl)sulfonylamino]cyclohexyl] N-phenylcarbamate
PubChem CID71794310
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name[3-[(2,5-dimethylphenyl)sulfonylamino]cyclohexyl] N-phenylcarbamate
SMILESCc1ccc(C)c(S(=O)(=O)NC2CCCC(OC(=O)Nc3ccccc3)C2)c1
InChIInChI=1S/C21H26N2O4S/c1-15-11-12-16(2)20(13-15)28(25,26)23-18-9-6-10-19(14-18)27-21(24)22-17-7-4-3-5-8-17/h3-5,7-8,11-13,18-19,23H,6,9-10,14H2,1-2H3,(H,22,24)
InChIKeyIFRLNOJDKSSMMF-UHFFFAOYSA-N
XLogP4.14
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(2-methoxy-5-methylphenyl)sulfonylamino]cyclohexyl] N-(4-fluorophenyl)carbamate
CID 71794354
[(1S,3R)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate
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[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
CID 139079563
3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031352
2,5-dimethyl-N-[1-(4-phenoxybutanoyl)piperidin-4-yl]benzenesulfonamide
CID 108565409
4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43317213
[(1S,3S)-3-(3-phenylpropanoylamino)cyclohexyl] N-phenylcarbamate
CID 95985789
[(1S,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]cyclohexyl] N-phenylcarbamate
CID 95985787
[3-[(2-oxochromene-3-carbonyl)amino]cyclohexyl] N-phenylcarbamate
CID 71794272
4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 46380415
[(1S,4R,8R)-9-oxabicyclo[6.1.0]nonan-4-yl] N-phenylcarbamate
CID 94036960
1-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-3-phenylurea
CID 16615685

Frequently Asked Questions

What is the IUPAC name of [3-[(2,5-dimethylphenyl)sulfonylamino]cyclohexyl] N-phenylcarbamate?
The IUPAC name of [3-[(2,5-dimethylphenyl)sulfonylamino]cyclohexyl] N-phenylcarbamate (CID 71794310) is [3-[(2,5-dimethylphenyl)sulfonylamino]cyclohexyl] N-phenylcarbamate.
What is the SMILES notation for [3-[(2,5-dimethylphenyl)sulfonylamino]cyclohexyl] N-phenylcarbamate?
The canonical SMILES for [3-[(2,5-dimethylphenyl)sulfonylamino]cyclohexyl] N-phenylcarbamate is Cc1ccc(C)c(S(=O)(=O)NC2CCCC(OC(=O)Nc3ccccc3)C2)c1.
What is the InChIKey of [3-[(2,5-dimethylphenyl)sulfonylamino]cyclohexyl] N-phenylcarbamate?
The InChIKey is IFRLNOJDKSSMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15-11-12-16(2)20(13-15)28(25,26)23-18-9-6-10-19(14-18)27-21(24)22-17-7-4-3-5-8-17/h3-5,7-8,11-13,18-19,23H,6,9-10,14H2,1-2H3,(H,22,24).
What are the key properties of [3-[(2,5-dimethylphenyl)sulfonylamino]cyclohexyl] N-phenylcarbamate?
[3-[(2,5-dimethylphenyl)sulfonylamino]cyclohexyl] N-phenylcarbamate has a molecular weight of 402.52 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,5-dimethylphenyl)sulfonylamino]cyclohexyl] N-phenylcarbamate is sourced from PubChem (CID 71794310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).