N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]adamantane-1-carboxamide

C21H24N4O3S — CID 2933308

IUPACN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]adamantane-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H24N4O3S/c26-19(21-11-14-8-15(12-21)10-16(9-14)13-21)24-17-2-4-18(5-3-17)29(27,28)25-20-22-6-1-7-23-20/h1-7,14-16H,8-13H2,(H,24,26)(H,22,23,25)
InChIKeyAAXRGSFETILCQD-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.43
Rot. Bonds5

About N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]adamantane-1-carboxamide

N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]adamantane-1-carboxamide (PubChem CID 2933308) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]adamantane-1-carboxamide
PubChem CID2933308
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]adamantane-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H24N4O3S/c26-19(21-11-14-8-15(12-21)10-16(9-14)13-21)24-17-2-4-18(5-3-17)29(27,28)25-20-22-6-1-7-23-20/h1-7,14-16H,8-13H2,(H,24,26)(H,22,23,25)
InChIKeyAAXRGSFETILCQD-UHFFFAOYSA-N
XLogP3.43
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
N-[4-(tert-butylsulfamoyl)phenyl]adamantane-1-carboxamide
CID 54787422
(3R,5S)-3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide
CID 1348595
1-[(1S)-1-(1-adamantyl)butyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea
CID 27087793
N-[4-(difluoromethylsulfonyl)phenyl]adamantane-1-carboxamide
CID 4880033
1-(1-adamantylmethyl)-3-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]urea
CID 25036730
1-(4-chlorophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]urea
CID 2200922
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 16608865
2,3,4,5,6-pentafluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2169475
2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 700857
2-(4-methylphenyl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 6493238
N-(4-trimethylsilylphenyl)adamantane-1-carboxamide
CID 171577278

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]adamantane-1-carboxamide (CID 2933308) is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]adamantane-1-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]adamantane-1-carboxamide?
The InChIKey is AAXRGSFETILCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c26-19(21-11-14-8-15(12-21)10-16(9-14)13-21)24-17-2-4-18(5-3-17)29(27,28)25-20-22-6-1-7-23-20/h1-7,14-16H,8-13H2,(H,24,26)(H,22,23,25).
What are the key properties of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]adamantane-1-carboxamide?
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]adamantane-1-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 2933308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).