N-[(3R)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-3-yl]acetamide

C22H27N3O4S — CID 52507139

IUPACN-[(3R)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)C1
InChIInChI=1S/C22H27N3O4S/c1-15-6-11-21(13-16(15)2)30(28,29)24-19-9-7-18(8-10-19)22(27)25-12-4-5-20(14-25)23-17(3)26/h6-11,13,20,24H,4-5,12,14H2,1-3H3,(H,23,26)/t20-/m1/s1
InChIKeyJEYQGAHUIIIDGH-HXUWFJFHSA-N
MW429.54 g/mol
LogP2.84
Rot. Bonds5

About N-[(3R)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-3-yl]acetamide

N-[(3R)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-3-yl]acetamide (PubChem CID 52507139) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[(3R)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-3-yl]acetamide
PubChem CID52507139
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-[(3R)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)C1
InChIInChI=1S/C22H27N3O4S/c1-15-6-11-21(13-16(15)2)30(28,29)24-19-9-7-18(8-10-19)22(27)25-12-4-5-20(14-25)23-17(3)26/h6-11,13,20,24H,4-5,12,14H2,1-3H3,(H,23,26)/t20-/m1/s1
InChIKeyJEYQGAHUIIIDGH-HXUWFJFHSA-N
XLogP2.84
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-4-yl]benzamide
CID 46678397
3,4-dimethyl-N-[4-(1-oxo-1,4-thiazinane-4-carbonyl)phenyl]benzenesulfonamide
CID 56535834
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
(2R)-N-cyclopropyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 92730158
N-[4-(1,4-diazepane-1-carbonyl)phenyl]-3,4-dimethylbenzenesulfonamide;hydrochloride
CID 119414705
4-fluoro-N-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide
CID 112771520
N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 46384573
N-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide
CID 78948823
N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 55646281
4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 119380159
N-(3,4-dimethylphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 46674476
N-[(3R)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide
CID 125440109

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-3-yl]acetamide (CID 52507139) is N-[(3R)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-3-yl]acetamide is CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)C1.
What is the InChIKey of N-[(3R)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-3-yl]acetamide?
The InChIKey is JEYQGAHUIIIDGH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-15-6-11-21(13-16(15)2)30(28,29)24-19-9-7-18(8-10-19)22(27)25-12-4-5-20(14-25)23-17(3)26/h6-11,13,20,24H,4-5,12,14H2,1-3H3,(H,23,26)/t20-/m1/s1.
What are the key properties of N-[(3R)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-3-yl]acetamide?
N-[(3R)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-3-yl]acetamide has a molecular weight of 429.54 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 52507139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).