N-(4-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide

C21H28N2O4S — CID 3585715

IUPACN-(4-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H28N2O4S/c24-20(21-12-15-9-16(13-21)11-17(10-15)14-21)22-18-1-3-19(4-2-18)28(25,26)23-5-7-27-8-6-23/h1-4,15-17H,5-14H2,(H,22,24)
InChIKeyBHWRIPJARREYIC-UHFFFAOYSA-N
MW404.53 g/mol
LogP2.86
Rot. Bonds4

About N-(4-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide

N-(4-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide (PubChem CID 3585715) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-(4-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide
PubChem CID3585715
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-(4-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H28N2O4S/c24-20(21-12-15-9-16(13-21)11-17(10-15)14-21)22-18-1-3-19(4-2-18)28(25,26)23-5-7-27-8-6-23/h1-4,15-17H,5-14H2,(H,22,24)
InChIKeyBHWRIPJARREYIC-UHFFFAOYSA-N
XLogP2.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]adamantane-1-carboxamide
CID 54787521
N-(1-adamantyl)-4-morpholin-4-ylsulfonylbenzamide
CID 2882558
N-(5-morpholin-4-ylsulfonyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide
CID 46271917
N-[4-(difluoromethylsulfonyl)phenyl]adamantane-1-carboxamide
CID 4880033
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
N-[4-[[2-(prop-2-enoylamino)-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]adamantane-1-carboxamide
CID 89237572
N-[4-[(5R,7R)-3-chloro-1-adamantyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 98390779
N-[1-(1-adamantyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 5051760
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
N-[4-(tert-butylsulfamoyl)phenyl]adamantane-1-carboxamide
CID 54787422
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
N-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide
CID 1108171

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide (CID 3585715) is N-(4-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(4-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide?
The InChIKey is BHWRIPJARREYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c24-20(21-12-15-9-16(13-21)11-17(10-15)14-21)22-18-1-3-19(4-2-18)28(25,26)23-5-7-27-8-6-23/h1-4,15-17H,5-14H2,(H,22,24).
What are the key properties of N-(4-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide?
N-(4-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide has a molecular weight of 404.53 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 3585715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).