3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide

C24H30N4O3S — CID 2893240

IUPAC3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C34CC5CC(C)(CC(C)(C5)C3)C4)cc2)n1
InChIInChI=1S/C24H30N4O3S/c1-16-8-9-25-21(26-16)28-32(30,31)19-6-4-18(5-7-19)27-20(29)24-12-17-10-22(2,14-24)13-23(3,11-17)15-24/h4-9,17H,10-15H2,1-3H3,(H,27,29)(H,25,26,28)
InChIKeyGKKUAMSADSOCRC-UHFFFAOYSA-N
MW454.60 g/mol
LogP4.52
Rot. Bonds5

About 3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide

3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide (PubChem CID 2893240) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide
PubChem CID2893240
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC Name3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C34CC5CC(C)(CC(C)(C5)C3)C4)cc2)n1
InChIInChI=1S/C24H30N4O3S/c1-16-8-9-25-21(26-16)28-32(30,31)19-6-4-18(5-7-19)27-20(29)24-12-17-10-22(2,14-24)13-23(3,11-17)15-24/h4-9,17H,10-15H2,1-3H3,(H,27,29)(H,25,26,28)
InChIKeyGKKUAMSADSOCRC-UHFFFAOYSA-N
XLogP4.52
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide (CID 2893240) is 3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C34CC5CC(C)(CC(C)(C5)C3)C4)cc2)n1.
What is the InChIKey of 3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide?
The InChIKey is GKKUAMSADSOCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-16-8-9-25-21(26-16)28-32(30,31)19-6-4-18(5-7-19)27-20(29)24-12-17-10-22(2,14-24)13-23(3,11-17)15-24/h4-9,17H,10-15H2,1-3H3,(H,27,29)(H,25,26,28).
What are the key properties of 3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide?
3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide has a molecular weight of 454.60 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 2893240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).