4-[2-[1-[(3-fluoro-4-methoxyphenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide

C24H31FN2O5S — CID 157382787

IUPAC4-[2-[1-[(3-fluoro-4-methoxyphenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC2(C(=O)CC3C4CC5CC3CC(C(N)=O)(C5)C4)CCC2)cc1F
InChIInChI=1S/C24H31FN2O5S/c1-32-20-4-3-17(9-19(20)25)33(30,31)27-24(5-2-6-24)21(28)10-18-15-7-14-8-16(18)13-23(11-14,12-15)22(26)29/h3-4,9,14-16,18,27H,2,5-8,10-13H2,1H3,(H2,26,29)
InChIKeyPNSXZAUOWOHATH-UHFFFAOYSA-N
MW478.59 g/mol
LogP2.92
Rot. Bonds8

About 4-[2-[1-[(3-fluoro-4-methoxyphenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide

4-[2-[1-[(3-fluoro-4-methoxyphenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 157382787) has the molecular formula C24H31FN2O5S and a molecular weight of 478.59 g/mol. Its IUPAC name is 4-[2-[1-[(3-fluoro-4-methoxyphenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound Name4-[2-[1-[(3-fluoro-4-methoxyphenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID157382787
Molecular FormulaC24H31FN2O5S
Molecular Weight478.59 g/mol
Exact Mass478.19
IUPAC Name4-[2-[1-[(3-fluoro-4-methoxyphenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC2(C(=O)CC3C4CC5CC3CC(C(N)=O)(C5)C4)CCC2)cc1F
InChIInChI=1S/C24H31FN2O5S/c1-32-20-4-3-17(9-19(20)25)33(30,31)27-24(5-2-6-24)21(28)10-18-15-7-14-8-16(18)13-23(11-14,12-15)22(26)29/h3-4,9,14-16,18,27H,2,5-8,10-13H2,1H3,(H2,26,29)
InChIKeyPNSXZAUOWOHATH-UHFFFAOYSA-N
XLogP2.92
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[(3-fluoro-4-methoxyphenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of 4-[2-[1-[(3-fluoro-4-methoxyphenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide (CID 157382787) is 4-[2-[1-[(3-fluoro-4-methoxyphenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for 4-[2-[1-[(3-fluoro-4-methoxyphenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for 4-[2-[1-[(3-fluoro-4-methoxyphenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide is COc1ccc(S(=O)(=O)NC2(C(=O)CC3C4CC5CC3CC(C(N)=O)(C5)C4)CCC2)cc1F.
What is the InChIKey of 4-[2-[1-[(3-fluoro-4-methoxyphenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is PNSXZAUOWOHATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O5S/c1-32-20-4-3-17(9-19(20)25)33(30,31)27-24(5-2-6-24)21(28)10-18-15-7-14-8-16(18)13-23(11-14,12-15)22(26)29/h3-4,9,14-16,18,27H,2,5-8,10-13H2,1H3,(H2,26,29).
What are the key properties of 4-[2-[1-[(3-fluoro-4-methoxyphenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide?
4-[2-[1-[(3-fluoro-4-methoxyphenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 478.59 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[(3-fluoro-4-methoxyphenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 157382787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).