N-(1-adamantyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide

C21H30N2O3S — CID 4009443

IUPACN-(1-adamantyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1C
InChIInChI=1S/C21H30N2O3S/c1-14-3-4-19(7-15(14)2)27(25,26)22-6-5-20(24)23-21-11-16-8-17(12-21)10-18(9-16)13-21/h3-4,7,16-18,22H,5-6,8-13H2,1-2H3,(H,23,24)
InChIKeyQZEOPZIZNDXDHW-UHFFFAOYSA-N
MW390.55 g/mol
LogP3.06
Rot. Bonds6

About N-(1-adamantyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide

N-(1-adamantyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide (PubChem CID 4009443) has the molecular formula C21H30N2O3S and a molecular weight of 390.55 g/mol. Its IUPAC name is N-(1-adamantyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
PubChem CID4009443
Molecular FormulaC21H30N2O3S
Molecular Weight390.55 g/mol
Exact Mass390.20
IUPAC NameN-(1-adamantyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1C
InChIInChI=1S/C21H30N2O3S/c1-14-3-4-19(7-15(14)2)27(25,26)22-6-5-20(24)23-21-11-16-8-17(12-21)10-18(9-16)13-21/h3-4,7,16-18,22H,5-6,8-13H2,1-2H3,(H,23,24)
InChIKeyQZEOPZIZNDXDHW-UHFFFAOYSA-N
XLogP3.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide
CID 32736543
2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171670
N-(1-adamantyl)-5-(benzylsulfamoyl)-2-methylbenzamide
CID 43008919
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 51159054
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 98752036
N-(1-adamantyl)-3-(2-methylanilino)propanamide
CID 37248010
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 11919981
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide
CID 26890848
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(5-ethylthiophen-2-yl)methyl]propanamide
CID 46475956
N-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide
CID 92682215
1-(1-adamantyl)-2-(3,4-dimethylphenyl)sulfonylethanone
CID 136535958

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(1-adamantyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide (CID 4009443) is N-(1-adamantyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(1-adamantyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(1-adamantyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1C.
What is the InChIKey of N-(1-adamantyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The InChIKey is QZEOPZIZNDXDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3S/c1-14-3-4-19(7-15(14)2)27(25,26)22-6-5-20(24)23-21-11-16-8-17(12-21)10-18(9-16)13-21/h3-4,7,16-18,22H,5-6,8-13H2,1-2H3,(H,23,24).
What are the key properties of N-(1-adamantyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
N-(1-adamantyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide has a molecular weight of 390.55 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 4009443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).