2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-pentylacetamide

C19H29FN2O3S — CID 21380505

IUPAC2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-pentylacetamide
SMILESCCCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H29FN2O3S/c1-2-3-7-14-21-19(23)15-22(17-8-5-4-6-9-17)26(24,25)18-12-10-16(20)11-13-18/h10-13,17H,2-9,14-15H2,1H3,(H,21,23)
InChIKeyIDXXMHBITJXJJX-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.46
Rot. Bonds9

About 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-pentylacetamide

2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-pentylacetamide (PubChem CID 21380505) has the molecular formula C19H29FN2O3S and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-pentylacetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-pentylacetamide
PubChem CID21380505
Molecular FormulaC19H29FN2O3S
Molecular Weight384.52 g/mol
Exact Mass384.19
IUPAC Name2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-pentylacetamide
SMILESCCCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H29FN2O3S/c1-2-3-7-14-21-19(23)15-22(17-8-5-4-6-9-17)26(24,25)18-12-10-16(20)11-13-18/h10-13,17H,2-9,14-15H2,1H3,(H,21,23)
InChIKeyIDXXMHBITJXJJX-UHFFFAOYSA-N
XLogP3.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)acetamide
CID 2917007
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 2301485
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 1330319
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-ethylacetamide
CID 4207935
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(2,4-difluorophenyl)acetamide
CID 126062232
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 40554659
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100791052
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 1041727
N-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 987644
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-propylacetamide
CID 3875641
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4550149
2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401577

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-pentylacetamide?
The IUPAC name of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-pentylacetamide (CID 21380505) is 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-pentylacetamide.
What is the SMILES notation for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-pentylacetamide?
The canonical SMILES for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-pentylacetamide is CCCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-pentylacetamide?
The InChIKey is IDXXMHBITJXJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O3S/c1-2-3-7-14-21-19(23)15-22(17-8-5-4-6-9-17)26(24,25)18-12-10-16(20)11-13-18/h10-13,17H,2-9,14-15H2,1H3,(H,21,23).
What are the key properties of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-pentylacetamide?
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-pentylacetamide has a molecular weight of 384.52 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-pentylacetamide is sourced from PubChem (CID 21380505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).