2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide

C20H24FN3O3S — CID 1330319

IUPAC2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NCc1ccncc1
InChIInChI=1S/C20H24FN3O3S/c21-17-6-8-19(9-7-17)28(26,27)24(18-4-2-1-3-5-18)15-20(25)23-14-16-10-12-22-13-11-16/h6-13,18H,1-5,14-15H2,(H,23,25)
InChIKeyNJULXBRLLWEJIH-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.86
Rot. Bonds7

About 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide

2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 1330319) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID1330319
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Name2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NCc1ccncc1
InChIInChI=1S/C20H24FN3O3S/c21-17-6-8-19(9-7-17)28(26,27)24(18-4-2-1-3-5-18)15-20(25)23-14-16-10-12-22-13-11-16/h6-13,18H,1-5,14-15H2,(H,23,25)
InChIKeyNJULXBRLLWEJIH-UHFFFAOYSA-N
XLogP2.86
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cycloheptyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113153055
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 2301485
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)acetamide
CID 2917007
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-pentylacetamide
CID 21380505
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 1041727
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(2,4-difluorophenyl)acetamide
CID 126062232
2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113147872
N-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 987644
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide
CID 1137711
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 1079970
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 40554659
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 100790812

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide (CID 1330319) is 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide is O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NCc1ccncc1.
What is the InChIKey of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is NJULXBRLLWEJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c21-17-6-8-19(9-7-17)28(26,27)24(18-4-2-1-3-5-18)15-20(25)23-14-16-10-12-22-13-11-16/h6-13,18H,1-5,14-15H2,(H,23,25).
What are the key properties of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 405.50 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 1330319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).