N-[1-(1-adamantyl)ethyl]-1-(benzenesulfonyl)cyclopentane-1-carboxamide

C24H33NO3S — CID 16591786

IUPACN-[1-(1-adamantyl)ethyl]-1-(benzenesulfonyl)cyclopentane-1-carboxamide
SMILESCC(NC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H33NO3S/c1-17(23-14-18-11-19(15-23)13-20(12-18)16-23)25-22(26)24(9-5-6-10-24)29(27,28)21-7-3-2-4-8-21/h2-4,7-8,17-20H,5-6,9-16H2,1H3,(H,25,26)
InChIKeyDUKUJXMJXFLADF-UHFFFAOYSA-N
MW415.60 g/mol
LogP4.49
Rot. Bonds5

About N-[1-(1-adamantyl)ethyl]-1-(benzenesulfonyl)cyclopentane-1-carboxamide

N-[1-(1-adamantyl)ethyl]-1-(benzenesulfonyl)cyclopentane-1-carboxamide (PubChem CID 16591786) has the molecular formula C24H33NO3S and a molecular weight of 415.60 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-1-(benzenesulfonyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-1-(benzenesulfonyl)cyclopentane-1-carboxamide
PubChem CID16591786
Molecular FormulaC24H33NO3S
Molecular Weight415.60 g/mol
Exact Mass415.22
IUPAC NameN-[1-(1-adamantyl)ethyl]-1-(benzenesulfonyl)cyclopentane-1-carboxamide
SMILESCC(NC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H33NO3S/c1-17(23-14-18-11-19(15-23)13-20(12-18)16-23)25-22(26)24(9-5-6-10-24)29(27,28)21-7-3-2-4-8-21/h2-4,7-8,17-20H,5-6,9-16H2,1H3,(H,25,26)
InChIKeyDUKUJXMJXFLADF-UHFFFAOYSA-N
XLogP4.49
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.60
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-1-(benzenesulfonyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-1-(benzenesulfonyl)cyclopentane-1-carboxamide (CID 16591786) is N-[1-(1-adamantyl)ethyl]-1-(benzenesulfonyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-1-(benzenesulfonyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-1-(benzenesulfonyl)cyclopentane-1-carboxamide is CC(NC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-1-(benzenesulfonyl)cyclopentane-1-carboxamide?
The InChIKey is DUKUJXMJXFLADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3S/c1-17(23-14-18-11-19(15-23)13-20(12-18)16-23)25-22(26)24(9-5-6-10-24)29(27,28)21-7-3-2-4-8-21/h2-4,7-8,17-20H,5-6,9-16H2,1H3,(H,25,26).
What are the key properties of N-[1-(1-adamantyl)ethyl]-1-(benzenesulfonyl)cyclopentane-1-carboxamide?
N-[1-(1-adamantyl)ethyl]-1-(benzenesulfonyl)cyclopentane-1-carboxamide has a molecular weight of 415.60 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-1-(benzenesulfonyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 16591786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).