4-[2-[1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclohexyl]-2-oxoethyl]adamantane-1-carboxamide

C26H35FN2O4S — CID 152873715

IUPAC4-[2-[1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclohexyl]-2-oxoethyl]adamantane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC2(C(=O)CC3C4CC5CC3CC(C(N)=O)(C5)C4)CCCCC2)cc1F
InChIInChI=1S/C26H35FN2O4S/c1-16-5-6-20(11-22(16)27)34(32,33)29-26(7-3-2-4-8-26)23(30)12-21-18-9-17-10-19(21)15-25(13-17,14-18)24(28)31/h5-6,11,17-19,21,29H,2-4,7-10,12-15H2,1H3,(H2,28,31)
InChIKeyTZXGFTOSWHMBSE-UHFFFAOYSA-N
MW490.64 g/mol
LogP4.00
Rot. Bonds7

About 4-[2-[1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclohexyl]-2-oxoethyl]adamantane-1-carboxamide

4-[2-[1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclohexyl]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 152873715) has the molecular formula C26H35FN2O4S and a molecular weight of 490.64 g/mol. Its IUPAC name is 4-[2-[1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclohexyl]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound Name4-[2-[1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclohexyl]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID152873715
Molecular FormulaC26H35FN2O4S
Molecular Weight490.64 g/mol
Exact Mass490.23
IUPAC Name4-[2-[1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclohexyl]-2-oxoethyl]adamantane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC2(C(=O)CC3C4CC5CC3CC(C(N)=O)(C5)C4)CCCCC2)cc1F
InChIInChI=1S/C26H35FN2O4S/c1-16-5-6-20(11-22(16)27)34(32,33)29-26(7-3-2-4-8-26)23(30)12-21-18-9-17-10-19(21)15-25(13-17,14-18)24(28)31/h5-6,11,17-19,21,29H,2-4,7-10,12-15H2,1H3,(H2,28,31)
InChIKeyTZXGFTOSWHMBSE-UHFFFAOYSA-N
XLogP4.00
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.64
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclohexyl]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of 4-[2-[1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclohexyl]-2-oxoethyl]adamantane-1-carboxamide (CID 152873715) is 4-[2-[1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclohexyl]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for 4-[2-[1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclohexyl]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for 4-[2-[1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclohexyl]-2-oxoethyl]adamantane-1-carboxamide is Cc1ccc(S(=O)(=O)NC2(C(=O)CC3C4CC5CC3CC(C(N)=O)(C5)C4)CCCCC2)cc1F.
What is the InChIKey of 4-[2-[1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclohexyl]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is TZXGFTOSWHMBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN2O4S/c1-16-5-6-20(11-22(16)27)34(32,33)29-26(7-3-2-4-8-26)23(30)12-21-18-9-17-10-19(21)15-25(13-17,14-18)24(28)31/h5-6,11,17-19,21,29H,2-4,7-10,12-15H2,1H3,(H2,28,31).
What are the key properties of 4-[2-[1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclohexyl]-2-oxoethyl]adamantane-1-carboxamide?
4-[2-[1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclohexyl]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 490.64 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclohexyl]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 152873715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).