1-cyclododecyl-3-[4-(methanesulfonamido)phenyl]urea

C20H33N3O3S — CID 108875238

IUPAC1-cyclododecyl-3-[4-(methanesulfonamido)phenyl]urea
SMILESCS(=O)(=O)Nc1ccc(NC(=O)NC2CCCCCCCCCCC2)cc1
InChIInChI=1S/C20H33N3O3S/c1-27(25,26)23-19-15-13-18(14-16-19)22-20(24)21-17-11-9-7-5-3-2-4-6-8-10-12-17/h13-17,23H,2-12H2,1H3,(H2,21,22,24)
InChIKeyMRMAOGCHOBAVCX-UHFFFAOYSA-N
MW395.57 g/mol
LogP4.85
Rot. Bonds4

About 1-cyclododecyl-3-[4-(methanesulfonamido)phenyl]urea

1-cyclododecyl-3-[4-(methanesulfonamido)phenyl]urea (PubChem CID 108875238) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is 1-cyclododecyl-3-[4-(methanesulfonamido)phenyl]urea.

Molecular Properties

Compound Name1-cyclododecyl-3-[4-(methanesulfonamido)phenyl]urea
PubChem CID108875238
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC Name1-cyclododecyl-3-[4-(methanesulfonamido)phenyl]urea
SMILESCS(=O)(=O)Nc1ccc(NC(=O)NC2CCCCCCCCCCC2)cc1
InChIInChI=1S/C20H33N3O3S/c1-27(25,26)23-19-15-13-18(14-16-19)22-20(24)21-17-11-9-7-5-3-2-4-6-8-10-12-17/h13-17,23H,2-12H2,1H3,(H2,21,22,24)
InChIKeyMRMAOGCHOBAVCX-UHFFFAOYSA-N
XLogP4.85
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-3-(4-methylsulfonylphenyl)urea
CID 115617892
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
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1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-(4-bromophenyl)-3-cycloheptylurea
CID 47132836
N-(cyclopentylcarbamoyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 55511040
4-(cyclooctylcarbamoylamino)benzoic acid
CID 61181422
1-cyclohexyl-3-(4-cyclopentylphenyl)urea
CID 170179753
1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea
CID 119045085
1-cyclohexyl-3-[4-(hydroxymethyl)phenyl]urea
CID 64793584
1-[4-(cyclopentylsulfamoyl)phenyl]-3-cyclopropylurea
CID 119045070
4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180621
1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 3271031

Frequently Asked Questions

What is the IUPAC name of 1-cyclododecyl-3-[4-(methanesulfonamido)phenyl]urea?
The IUPAC name of 1-cyclododecyl-3-[4-(methanesulfonamido)phenyl]urea (CID 108875238) is 1-cyclododecyl-3-[4-(methanesulfonamido)phenyl]urea.
What is the SMILES notation for 1-cyclododecyl-3-[4-(methanesulfonamido)phenyl]urea?
The canonical SMILES for 1-cyclododecyl-3-[4-(methanesulfonamido)phenyl]urea is CS(=O)(=O)Nc1ccc(NC(=O)NC2CCCCCCCCCCC2)cc1.
What is the InChIKey of 1-cyclododecyl-3-[4-(methanesulfonamido)phenyl]urea?
The InChIKey is MRMAOGCHOBAVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-27(25,26)23-19-15-13-18(14-16-19)22-20(24)21-17-11-9-7-5-3-2-4-6-8-10-12-17/h13-17,23H,2-12H2,1H3,(H2,21,22,24).
What are the key properties of 1-cyclododecyl-3-[4-(methanesulfonamido)phenyl]urea?
1-cyclododecyl-3-[4-(methanesulfonamido)phenyl]urea has a molecular weight of 395.57 g/mol, XLogP of 4.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclododecyl-3-[4-(methanesulfonamido)phenyl]urea is sourced from PubChem (CID 108875238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).