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

C24H30N4O3S — CID 1348595

IUPAC(3R,5S)-3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C34CC5C[C@@](C)(C3)C[C@](C)(C5)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)/t17?,22-,23+,24?
InChIKeyGKKUAMSADSOCRC-MDQWUCQQSA-N
MW454.60 g/mol
LogP4.52
Rot. Bonds5

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

(3R,5S)-3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide (PubChem CID 1348595) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is (3R,5S)-3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound Name(3R,5S)-3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide
PubChem CID1348595
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC Name(3R,5S)-3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C34CC5C[C@@](C)(C3)C[C@](C)(C5)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)/t17?,22-,23+,24?
InChIKeyGKKUAMSADSOCRC-MDQWUCQQSA-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

Analyze (3R,5S)-3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide with MolForge

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Related Compounds

(3S,6S)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 98161355
1-(1-adamantylmethyl)-3-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]urea
CID 25036730
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]adamantane-1-carboxamide
CID 2933308
3-cyclopentyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 1224874
(3R,5R)-N-(4-ethoxyphenyl)-3,5-dimethyladamantane-1-carboxamide
CID 6595849
4-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 38011101
4-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150961
2-[(4-chlorophenyl)methylsulfonyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 17225176
3-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150968
4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 19683635
2-(3,5-dimethoxyphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 92681019
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 43909360

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide?
The IUPAC name of (3R,5S)-3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide (CID 1348595) is (3R,5S)-3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide.
What is the SMILES notation for (3R,5S)-3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide?
The canonical SMILES for (3R,5S)-3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)cc2)n1.
What is the InChIKey of (3R,5S)-3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide?
The InChIKey is GKKUAMSADSOCRC-MDQWUCQQSA-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)/t17?,22-,23+,24?.
What are the key properties of (3R,5S)-3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide?
(3R,5S)-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 (3R,5S)-3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 1348595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).