4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide

C21H27N3O3S — CID 25443715

IUPAC4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H27N3O3S/c1-16-7-10-18(15-20(16)28(26,27)24-13-5-4-6-14-24)22-21(25)17-8-11-19(12-9-17)23(2)3/h7-12,15H,4-6,13-14H2,1-3H3,(H,22,25)
InChIKeyZOJKMEGCJZEEDX-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.49
Rot. Bonds5

About 4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide

4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 25443715) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID25443715
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H27N3O3S/c1-16-7-10-18(15-20(16)28(26,27)24-13-5-4-6-14-24)22-21(25)17-8-11-19(12-9-17)23(2)3/h7-12,15H,4-6,13-14H2,1-3H3,(H,22,25)
InChIKeyZOJKMEGCJZEEDX-UHFFFAOYSA-N
XLogP3.49
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
CID 3602667
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzodioxole-5-carboxamide
CID 71904754
N-(3-chloro-4-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059846
N-(3-iodo-4-methylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3963878
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 3541229
N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3319153
N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8885356
N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2666218
4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26760146
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-pyrazol-1-ylbenzamide
CID 25443780
N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7914517

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide (CID 25443715) is 4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is ZOJKMEGCJZEEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-16-7-10-18(15-20(16)28(26,27)24-13-5-4-6-14-24)22-21(25)17-8-11-19(12-9-17)23(2)3/h7-12,15H,4-6,13-14H2,1-3H3,(H,22,25).
What are the key properties of 4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide?
4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 401.53 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 25443715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).