N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-phenoxymethyl]acetamide

C22H27N3O5S — CID 163861602

IUPACN-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-phenoxymethyl]acetamide
SMILESCC(=O)NC(Oc1ccccc1)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C22H27N3O5S/c1-16(26)23-21(30-19-10-6-3-7-11-19)17-12-14-20(15-13-17)31(28,29)25-22(27)24-18-8-4-2-5-9-18/h3,6-7,10-15,18,21H,2,4-5,8-9H2,1H3,(H,23,26)(H2,24,25,27)
InChIKeyPCZUTUVYABZNQH-UHFFFAOYSA-N
MW445.54 g/mol
LogP3.22
Rot. Bonds7

About N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-phenoxymethyl]acetamide

N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-phenoxymethyl]acetamide (PubChem CID 163861602) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-phenoxymethyl]acetamide.

Molecular Properties

Compound NameN-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-phenoxymethyl]acetamide
PubChem CID163861602
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC NameN-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-phenoxymethyl]acetamide
SMILESCC(=O)NC(Oc1ccccc1)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C22H27N3O5S/c1-16(26)23-21(30-19-10-6-3-7-11-19)17-12-14-20(15-13-17)31(28,29)25-22(27)24-18-8-4-2-5-9-18/h3,6-7,10-15,18,21H,2,4-5,8-9H2,1H3,(H,23,26)(H2,24,25,27)
InChIKeyPCZUTUVYABZNQH-UHFFFAOYSA-N
XLogP3.22
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-(4-phenoxyphenyl)sulfonylurea
CID 163582481
1-cyclohexyl-3-naphthalen-2-ylsulfonylurea
CID 163441997
1-cyclohexyl-3-(4-ethylphenyl)sulfonylurea
CID 10495173
1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea
CID 163523295
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]acetamide
CID 10666666
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]ethanimidate
CID 100950927
1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea
CID 2370277
1-cycloheptyl-3-(3,4-dimethylphenyl)sulfonylurea
CID 154210091
N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenoxypropanamide
CID 2973953
1-cyclohexyl-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]sulfonylurea
CID 134111037
1-cyclohexyl-3-[(2S)-1-phenoxypropan-2-yl]urea
CID 94192179

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-phenoxymethyl]acetamide?
The IUPAC name of N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-phenoxymethyl]acetamide (CID 163861602) is N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-phenoxymethyl]acetamide.
What is the SMILES notation for N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-phenoxymethyl]acetamide?
The canonical SMILES for N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-phenoxymethyl]acetamide is CC(=O)NC(Oc1ccccc1)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-phenoxymethyl]acetamide?
The InChIKey is PCZUTUVYABZNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-16(26)23-21(30-19-10-6-3-7-11-19)17-12-14-20(15-13-17)31(28,29)25-22(27)24-18-8-4-2-5-9-18/h3,6-7,10-15,18,21H,2,4-5,8-9H2,1H3,(H,23,26)(H2,24,25,27).
What are the key properties of N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-phenoxymethyl]acetamide?
N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-phenoxymethyl]acetamide has a molecular weight of 445.54 g/mol, XLogP of 3.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-phenoxymethyl]acetamide is sourced from PubChem (CID 163861602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).