N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]adamantane-1-carboxamide

C20H23N3O4S — CID 43977266

IUPACN-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]adamantane-1-carboxamide
SMILESCS(=O)(=O)c1cccc(-c2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)o2)c1
InChIInChI=1S/C20H23N3O4S/c1-28(25,26)16-4-2-3-15(8-16)17-22-23-19(27-17)21-18(24)20-9-12-5-13(10-20)7-14(6-12)11-20/h2-4,8,12-14H,5-7,9-11H2,1H3,(H,21,23,24)
InChIKeyBDFFZSWTRQCNTM-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.30
Rot. Bonds4

About N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]adamantane-1-carboxamide

N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]adamantane-1-carboxamide (PubChem CID 43977266) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]adamantane-1-carboxamide
PubChem CID43977266
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]adamantane-1-carboxamide
SMILESCS(=O)(=O)c1cccc(-c2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)o2)c1
InChIInChI=1S/C20H23N3O4S/c1-28(25,26)16-4-2-3-15(8-16)17-22-23-19(27-17)21-18(24)20-9-12-5-13(10-20)7-14(6-12)11-20/h2-4,8,12-14H,5-7,9-11H2,1H3,(H,21,23,24)
InChIKeyBDFFZSWTRQCNTM-UHFFFAOYSA-N
XLogP3.30
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-(2-(methylthio)phenyl)-1,3,4-oxadiazol-2-yl)-2-phenylacetamide
CID 7295015
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-phenylsulfanylpropanamide
CID 4061474
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 7254358
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 7254360
2-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7254447
N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide
CID 7295079
3-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16821863
3-methylsulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7266928
N-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3-tosylpropanamide
CID 7254300
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 7254387
3-(benzenesulfonyl)-N-[5-(3-methanesulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16799917
N-(5-(3-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide
CID 16830208

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]adamantane-1-carboxamide (CID 43977266) is N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]adamantane-1-carboxamide is CS(=O)(=O)c1cccc(-c2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)o2)c1.
What is the InChIKey of N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]adamantane-1-carboxamide?
The InChIKey is BDFFZSWTRQCNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-28(25,26)16-4-2-3-15(8-16)17-22-23-19(27-17)21-18(24)20-9-12-5-13(10-20)7-14(6-12)11-20/h2-4,8,12-14H,5-7,9-11H2,1H3,(H,21,23,24).
What are the key properties of N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]adamantane-1-carboxamide?
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]adamantane-1-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 43977266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).