N-[(2R)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]adamantane-1-carboxamide

C24H29NO5S — CID 26792762

IUPACN-[(2R)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]adamantane-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)[C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccco2)cc1
InChIInChI=1S/C24H29NO5S/c1-29-19-4-6-20(7-5-19)31(27,28)22(21-3-2-8-30-21)15-25-23(26)24-12-16-9-17(13-24)11-18(10-16)14-24/h2-8,16-18,22H,9-15H2,1H3,(H,25,26)/t16?,17?,18?,22-,24?/m1/s1
InChIKeyYWJDEGGIQGCSAU-YFZSMNHSSA-N
MW443.57 g/mol
LogP4.14
Rot. Bonds7

About N-[(2R)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]adamantane-1-carboxamide

N-[(2R)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]adamantane-1-carboxamide (PubChem CID 26792762) has the molecular formula C24H29NO5S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]adamantane-1-carboxamide
PubChem CID26792762
Molecular FormulaC24H29NO5S
Molecular Weight443.57 g/mol
Exact Mass443.18
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]adamantane-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)[C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccco2)cc1
InChIInChI=1S/C24H29NO5S/c1-29-19-4-6-20(7-5-19)31(27,28)22(21-3-2-8-30-21)15-25-23(26)24-12-16-9-17(13-24)11-18(10-16)14-24/h2-8,16-18,22H,9-15H2,1H3,(H,25,26)/t16?,17?,18?,22-,24?/m1/s1
InChIKeyYWJDEGGIQGCSAU-YFZSMNHSSA-N
XLogP4.14
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]adamantane-1-carboxamide
CID 43981223
N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide
CID 110315102
N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]oxolane-2-carboxamide
CID 110315105
2,6-difluoro-N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]benzamide
CID 20962895
5-bromo-N-[(2S)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]furan-2-carboxamide
CID 26792715
N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 40775081
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 40774997
2-[2-(dimethylsulfamoylamino)-1-(4-methoxyphenyl)sulfonylethyl]furan
CID 110315122
phenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate
CID 7268077
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide
CID 7268107
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide
CID 40752691
N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 18159466

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]adamantane-1-carboxamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]adamantane-1-carboxamide (CID 26792762) is N-[(2R)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]adamantane-1-carboxamide is COc1ccc(S(=O)(=O)[C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccco2)cc1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]adamantane-1-carboxamide?
The InChIKey is YWJDEGGIQGCSAU-YFZSMNHSSA-N. The full InChI is InChI=1S/C24H29NO5S/c1-29-19-4-6-20(7-5-19)31(27,28)22(21-3-2-8-30-21)15-25-23(26)24-12-16-9-17(13-24)11-18(10-16)14-24/h2-8,16-18,22H,9-15H2,1H3,(H,25,26)/t16?,17?,18?,22-,24?/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]adamantane-1-carboxamide?
N-[(2R)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]adamantane-1-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]adamantane-1-carboxamide is sourced from PubChem (CID 26792762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).