N-[[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]adamantane-1-carboxamide

C23H29F3N2O3S — CID 42634341

IUPACN-[[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]adamantane-1-carboxamide
SMILESO=C(NCC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H29F3N2O3S/c24-23(25,26)19-2-1-3-20(9-19)32(30,31)28-5-4-15(14-28)13-27-21(29)22-10-16-6-17(11-22)8-18(7-16)12-22/h1-3,9,15-18H,4-8,10-14H2,(H,27,29)
InChIKeyVPCFSUNPLAMWPA-UHFFFAOYSA-N
MW470.56 g/mol
LogP4.05
Rot. Bonds5

About N-[[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]adamantane-1-carboxamide

N-[[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]adamantane-1-carboxamide (PubChem CID 42634341) has the molecular formula C23H29F3N2O3S and a molecular weight of 470.56 g/mol. Its IUPAC name is N-[[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]adamantane-1-carboxamide
PubChem CID42634341
Molecular FormulaC23H29F3N2O3S
Molecular Weight470.56 g/mol
Exact Mass470.19
IUPAC NameN-[[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]adamantane-1-carboxamide
SMILESO=C(NCC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H29F3N2O3S/c24-23(25,26)19-2-1-3-20(9-19)32(30,31)28-5-4-15(14-28)13-27-21(29)22-10-16-6-17(11-22)8-18(7-16)12-22/h1-3,9,15-18H,4-8,10-14H2,(H,27,29)
InChIKeyVPCFSUNPLAMWPA-UHFFFAOYSA-N
XLogP4.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]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

1-(1-adamantyl)-3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]urea
CID 69084505
1-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)-3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]methyl]urea
CID 162586728
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 115745003
1-(1-adamantyl)-3-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]urea
CID 69083036
methyl 2-[(3S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]sulfanylacetate
CID 99982698
N-(1-adamantyl)-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]acetamide
CID 69085659
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]adamantane-1-carboxamide
CID 51090941
N-[[1-[4-(benzamidomethyl)thiophen-2-yl]sulfonylpyrrolidin-3-yl]methyl]adamantane-1-carboxamide
CID 42635049
N-(cyclopropylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119987428
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxyacetic acid
CID 59820106
N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]adamantane-1-carboxamide
CID 70266745
N-[[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]adamantane-1-carboxamide
CID 69081431

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]adamantane-1-carboxamide (CID 42634341) is N-[[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]adamantane-1-carboxamide is O=C(NCC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]adamantane-1-carboxamide?
The InChIKey is VPCFSUNPLAMWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N2O3S/c24-23(25,26)19-2-1-3-20(9-19)32(30,31)28-5-4-15(14-28)13-27-21(29)22-10-16-6-17(11-22)8-18(7-16)12-22/h1-3,9,15-18H,4-8,10-14H2,(H,27,29).
What are the key properties of N-[[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]adamantane-1-carboxamide?
N-[[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]adamantane-1-carboxamide has a molecular weight of 470.56 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 42634341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).