4-methyl-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-5-carboxamide

C23H24N4O3S — CID 112770537

IUPAC4-methyl-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-5-carboxamide
SMILESCc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H24N4O3S/c1-17-21(16-24-22(25-17)18-8-4-2-5-9-18)23(28)26-19-10-12-20(13-11-19)31(29,30)27-14-6-3-7-15-27/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,26,28)
InChIKeySOZCYGRYCOOALE-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.88
Rot. Bonds5

About 4-methyl-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-5-carboxamide

4-methyl-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-5-carboxamide (PubChem CID 112770537) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 4-methyl-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-5-carboxamide
PubChem CID112770537
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name4-methyl-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-5-carboxamide
SMILESCc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H24N4O3S/c1-17-21(16-24-22(25-17)18-8-4-2-5-9-18)23(28)26-19-10-12-20(13-11-19)31(29,30)27-14-6-3-7-15-27/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,26,28)
InChIKeySOZCYGRYCOOALE-UHFFFAOYSA-N
XLogP3.88
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
CID 1010223
2-methyl-6-phenyl-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 27006276
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55521376
2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1010360
2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1086858
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 96596105
2-methyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 167880912
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 1240122
2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 100709394

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-5-carboxamide (CID 112770537) is 4-methyl-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-5-carboxamide is Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-methyl-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-5-carboxamide?
The InChIKey is SOZCYGRYCOOALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-17-21(16-24-22(25-17)18-8-4-2-5-9-18)23(28)26-19-10-12-20(13-11-19)31(29,30)27-14-6-3-7-15-27/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,26,28).
What are the key properties of 4-methyl-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-5-carboxamide?
4-methyl-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-5-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 112770537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).