1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea

C15H22N4O4S — CID 2370277

IUPAC1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea
SMILESCc1ccc(S(=O)(=O)NC(=O)NNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C15H22N4O4S/c1-11-7-9-13(10-8-11)24(22,23)19-15(21)18-17-14(20)16-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,16,17,20)(H2,18,19,21)
InChIKeyMBWICGAGPMUOCE-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.53
Rot. Bonds3

About 1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea

1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea (PubChem CID 2370277) has the molecular formula C15H22N4O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea
PubChem CID2370277
Molecular FormulaC15H22N4O4S
Molecular Weight354.43 g/mol
Exact Mass354.14
IUPAC Name1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea
SMILESCc1ccc(S(=O)(=O)NC(=O)NNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C15H22N4O4S/c1-11-7-9-13(10-8-11)24(22,23)19-15(21)18-17-14(20)16-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,16,17,20)(H2,18,19,21)
InChIKeyMBWICGAGPMUOCE-UHFFFAOYSA-N
XLogP1.53
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-3-(4-methylphenyl)sulfonylurea
CID 916360
1-cycloheptyl-3-(3,4-dimethylphenyl)sulfonylurea
CID 154210091
1-cyclohexyl-3-(4-ethylphenyl)sulfonylurea
CID 10495173
1-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methylphenyl)sulfonylurea
CID 40596016
1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea
CID 40596528
1-cyclohexyl-3-(4-phenoxyphenyl)sulfonylurea
CID 163582481
N-cyclopropyl-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide
CID 8841174
1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea
CID 163523295
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]acetamide
CID 10666666
1-cyclohexyl-3-naphthalen-2-ylsulfonylurea
CID 163441997
1-(1,5-dioxaspiro[5.5]undecan-11-yl)-3-(4-methylphenyl)sulfonylurea
CID 134115577
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]ethanimidate
CID 100950927

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea?
The IUPAC name of 1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea (CID 2370277) is 1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea?
The canonical SMILES for 1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea is Cc1ccc(S(=O)(=O)NC(=O)NNC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea?
The InChIKey is MBWICGAGPMUOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4S/c1-11-7-9-13(10-8-11)24(22,23)19-15(21)18-17-14(20)16-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,16,17,20)(H2,18,19,21).
What are the key properties of 1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea?
1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea has a molecular weight of 354.43 g/mol, XLogP of 1.53, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea is sourced from PubChem (CID 2370277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).