N-(3-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide

C21H28N2O4S — CID 4079458

IUPACN-(3-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H28N2O4S/c24-20(21-12-15-8-16(13-21)10-17(9-15)14-21)22-18-2-1-3-19(11-18)28(25,26)23-4-6-27-7-5-23/h1-3,11,15-17H,4-10,12-14H2,(H,22,24)
InChIKeyQGBZLPRWLDHXOS-UHFFFAOYSA-N
MW404.53 g/mol
LogP2.86
Rot. Bonds4

About N-(3-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide

N-(3-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide (PubChem CID 4079458) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-(3-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide
PubChem CID4079458
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-(3-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H28N2O4S/c24-20(21-12-15-8-16(13-21)10-17(9-15)14-21)22-18-2-1-3-19(11-18)28(25,26)23-4-6-27-7-5-23/h1-3,11,15-17H,4-10,12-14H2,(H,22,24)
InChIKeyQGBZLPRWLDHXOS-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

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Related Compounds

N-[4-[4-(adamantane-1-carbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 51039927
N-(4-Sulfamoylphenyl)-2-[(3s,5s,7s)-Tricyclo[3.3.1.1~3,7~]dec-1-Yl]acetamide
CID 3440976
2-(2-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3519434
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
CID 3959591
N-(4-sulfamoylphenyl)adamantane-1-carboxamide
CID 3774719
N-(4-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1105149
N-[4-(morpholin-4-ylsulfonyl)phenyl]-4-phenylbutanamide
CID 1164488
N-(2,4-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2572944
Cambridge id 6088486
CID 2885413
3-cyclohexyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]propanamide
CID 3510468
[1-Oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(adamantane-1-carbonylamino)acetate
CID 4029771
2-(cyclohexylmethylamino)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4365451

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide (CID 4079458) is N-(3-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(3-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide?
The InChIKey is QGBZLPRWLDHXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c24-20(21-12-15-8-16(13-21)10-17(9-15)14-21)22-18-2-1-3-19(11-18)28(25,26)23-4-6-27-7-5-23/h1-3,11,15-17H,4-10,12-14H2,(H,22,24).
What are the key properties of N-(3-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide?
N-(3-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-(3-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 4079458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).