N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]adamantane-1-carboxamide

C24H28FNO4S — CID 43981223

IUPACN-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]adamantane-1-carboxamide
SMILESCc1cc(S(=O)(=O)C(CNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccco2)ccc1F
InChIInChI=1S/C24H28FNO4S/c1-15-7-19(4-5-20(15)25)31(28,29)22(21-3-2-6-30-21)14-26-23(27)24-11-16-8-17(12-24)10-18(9-16)13-24/h2-7,16-18,22H,8-14H2,1H3,(H,26,27)
InChIKeyULUXMDHGLIXGMG-UHFFFAOYSA-N
MW445.56 g/mol
LogP4.57
Rot. Bonds6

About N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]adamantane-1-carboxamide

N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]adamantane-1-carboxamide (PubChem CID 43981223) has the molecular formula C24H28FNO4S and a molecular weight of 445.56 g/mol. Its IUPAC name is N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]adamantane-1-carboxamide
PubChem CID43981223
Molecular FormulaC24H28FNO4S
Molecular Weight445.56 g/mol
Exact Mass445.17
IUPAC NameN-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]adamantane-1-carboxamide
SMILESCc1cc(S(=O)(=O)C(CNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccco2)ccc1F
InChIInChI=1S/C24H28FNO4S/c1-15-7-19(4-5-20(15)25)31(28,29)22(21-3-2-6-30-21)14-26-23(27)24-11-16-8-17(12-24)10-18(9-16)13-24/h2-7,16-18,22H,8-14H2,1H3,(H,26,27)
InChIKeyULUXMDHGLIXGMG-UHFFFAOYSA-N
XLogP4.57
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]adamantane-1-carboxamide
CID 26792762
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 20962937
N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 26792820
4-fluoro-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 41193186
N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4,5-dimethoxy-2-nitrobenzamide
CID 41128885
N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
CID 9160739
N'-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-ethyloxamide
CID 9161190
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide
CID 40752691
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]adamantane-1-carboxamide
CID 4880413
phenyl N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]carbamate
CID 7268237
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
CID 7268165
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 7268289

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]adamantane-1-carboxamide (CID 43981223) is N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]adamantane-1-carboxamide is Cc1cc(S(=O)(=O)C(CNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccco2)ccc1F.
What is the InChIKey of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]adamantane-1-carboxamide?
The InChIKey is ULUXMDHGLIXGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FNO4S/c1-15-7-19(4-5-20(15)25)31(28,29)22(21-3-2-6-30-21)14-26-23(27)24-11-16-8-17(12-24)10-18(9-16)13-24/h2-7,16-18,22H,8-14H2,1H3,(H,26,27).
What are the key properties of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]adamantane-1-carboxamide?
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]adamantane-1-carboxamide has a molecular weight of 445.56 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 43981223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).