(5S,7S)-3-phenyl-N-(4-sulfamoylphenyl)adamantane-1-carboxamide

C23H26N2O3S — CID 98586974

IUPAC(5S,7S)-3-phenyl-N-(4-sulfamoylphenyl)adamantane-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C23C[C@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)cc1
InChIInChI=1S/C23H26N2O3S/c24-29(27,28)20-8-6-19(7-9-20)25-21(26)23-13-16-10-17(14-23)12-22(11-16,15-23)18-4-2-1-3-5-18/h1-9,16-17H,10-15H2,(H,25,26)(H2,24,27,28)/t16-,17-,22?,23?/m0/s1
InChIKeyRIVJULWDAMQWTF-PQJGELLGSA-N
MW410.54 g/mol
LogP3.81
Rot. Bonds4

About (5S,7S)-3-phenyl-N-(4-sulfamoylphenyl)adamantane-1-carboxamide

(5S,7S)-3-phenyl-N-(4-sulfamoylphenyl)adamantane-1-carboxamide (PubChem CID 98586974) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is (5S,7S)-3-phenyl-N-(4-sulfamoylphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound Name(5S,7S)-3-phenyl-N-(4-sulfamoylphenyl)adamantane-1-carboxamide
PubChem CID98586974
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name(5S,7S)-3-phenyl-N-(4-sulfamoylphenyl)adamantane-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C23C[C@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)cc1
InChIInChI=1S/C23H26N2O3S/c24-29(27,28)20-8-6-19(7-9-20)25-21(26)23-13-16-10-17(14-23)12-22(11-16,15-23)18-4-2-1-3-5-18/h1-9,16-17H,10-15H2,(H,25,26)(H2,24,27,28)/t16-,17-,22?,23?/m0/s1
InChIKeyRIVJULWDAMQWTF-PQJGELLGSA-N
XLogP3.81
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,7S)-3-phenyladamantane-1-carboxylic acid
CID 98062703
(5R,7R)-3-phenyl-N-prop-2-enyladamantane-1-carboxamide
CID 98185678
[2-(4-methylanilino)-2-oxoethyl] (5R,7R)-3-phenyladamantane-1-carboxylate
CID 98286596
3-(4-methylphenyl)-N-(3-methylsulfonylphenyl)adamantane-1-carboxamide
CID 55416136
N-(4-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 2835994
N-[4-[(5R,7R)-3-phenyl-1-adamantyl]phenyl]benzamide
CID 98144092
N-[3-(ethylcarbamoyl)phenyl]-3-phenyladamantane-1-carboxamide
CID 52990873
(5R,7R)-3-chloro-N-(4-methylsulfonylphenyl)adamantane-1-carboxamide
CID 98349263
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] (5S,7R)-3-phenyladamantane-1-carboxylate
CID 2432351
(2-amino-2-oxoethyl) (5S,7S)-3-phenyladamantane-1-carboxylate
CID 98406265
N-(1,3-dioxoisoindol-4-yl)-3-phenyladamantane-1-carboxamide
CID 3547082
N-[4-(difluoromethylsulfonyl)phenyl]adamantane-1-carboxamide
CID 4880033

Frequently Asked Questions

What is the IUPAC name of (5S,7S)-3-phenyl-N-(4-sulfamoylphenyl)adamantane-1-carboxamide?
The IUPAC name of (5S,7S)-3-phenyl-N-(4-sulfamoylphenyl)adamantane-1-carboxamide (CID 98586974) is (5S,7S)-3-phenyl-N-(4-sulfamoylphenyl)adamantane-1-carboxamide.
What is the SMILES notation for (5S,7S)-3-phenyl-N-(4-sulfamoylphenyl)adamantane-1-carboxamide?
The canonical SMILES for (5S,7S)-3-phenyl-N-(4-sulfamoylphenyl)adamantane-1-carboxamide is NS(=O)(=O)c1ccc(NC(=O)C23C[C@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)cc1.
What is the InChIKey of (5S,7S)-3-phenyl-N-(4-sulfamoylphenyl)adamantane-1-carboxamide?
The InChIKey is RIVJULWDAMQWTF-PQJGELLGSA-N. The full InChI is InChI=1S/C23H26N2O3S/c24-29(27,28)20-8-6-19(7-9-20)25-21(26)23-13-16-10-17(14-23)12-22(11-16,15-23)18-4-2-1-3-5-18/h1-9,16-17H,10-15H2,(H,25,26)(H2,24,27,28)/t16-,17-,22?,23?/m0/s1.
What are the key properties of (5S,7S)-3-phenyl-N-(4-sulfamoylphenyl)adamantane-1-carboxamide?
(5S,7S)-3-phenyl-N-(4-sulfamoylphenyl)adamantane-1-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-3-phenyl-N-(4-sulfamoylphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 98586974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).