2-methyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide

C24H26N4O3S — CID 167880912

IUPAC2-methyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)nc(-c2ccccc2)n1
InChIInChI=1S/C24H26N4O3S/c1-17-11-12-20(32(30,31)28-13-7-4-8-14-28)16-21(17)24(29)27-22-15-18(2)25-23(26-22)19-9-5-3-6-10-19/h3,5-6,9-12,15-16H,4,7-8,13-14H2,1-2H3,(H,25,26,27,29)
InChIKeyIOZYYBJULLRKJT-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.19
Rot. Bonds5

About 2-methyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide

2-methyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 167880912) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is 2-methyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID167880912
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name2-methyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)nc(-c2ccccc2)n1
InChIInChI=1S/C24H26N4O3S/c1-17-11-12-20(32(30,31)28-13-7-4-8-14-28)16-21(17)24(29)27-22-15-18(2)25-23(26-22)19-9-5-3-6-10-19/h3,5-6,9-12,15-16H,4,7-8,13-14H2,1-2H3,(H,25,26,27,29)
InChIKeyIOZYYBJULLRKJT-UHFFFAOYSA-N
XLogP4.19
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26727569
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 29176549
N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 8839499
N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26696294
5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide
CID 6473087
2-methyl-5-piperidin-1-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide
CID 2344795
5-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-methylbenzamide
CID 53281671
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 3481507
N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26538419
5-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-2-methylbenzamide
CID 53281830
N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26638354

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide (CID 167880912) is 2-methyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide is Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)nc(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is IOZYYBJULLRKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-17-11-12-20(32(30,31)28-13-7-4-8-14-28)16-21(17)24(29)27-22-15-18(2)25-23(26-22)19-9-5-3-6-10-19/h3,5-6,9-12,15-16H,4,7-8,13-14H2,1-2H3,(H,25,26,27,29).
What are the key properties of 2-methyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide?
2-methyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 450.56 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 167880912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).