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

C27H29N3O4S — CID 46678397

IUPACN-[1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-4-yl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)cc2)cc1C
InChIInChI=1S/C27H29N3O4S/c1-19-8-13-25(18-20(19)2)35(33,34)29-24-11-9-22(10-12-24)27(32)30-16-14-23(15-17-30)28-26(31)21-6-4-3-5-7-21/h3-13,18,23,29H,14-17H2,1-2H3,(H,28,31)
InChIKeyVOEJBHWNXCQBKE-UHFFFAOYSA-N
MW491.61 g/mol
LogP4.14
Rot. Bonds6

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

N-[1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-4-yl]benzamide (PubChem CID 46678397) has the molecular formula C27H29N3O4S and a molecular weight of 491.61 g/mol. Its IUPAC name is N-[1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-4-yl]benzamide
PubChem CID46678397
Molecular FormulaC27H29N3O4S
Molecular Weight491.61 g/mol
Exact Mass491.19
IUPAC NameN-[1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-4-yl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)cc2)cc1C
InChIInChI=1S/C27H29N3O4S/c1-19-8-13-25(18-20(19)2)35(33,34)29-24-11-9-22(10-12-24)27(32)30-16-14-23(15-17-30)28-26(31)21-6-4-3-5-7-21/h3-13,18,23,29H,14-17H2,1-2H3,(H,28,31)
InChIKeyVOEJBHWNXCQBKE-UHFFFAOYSA-N
XLogP4.14
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]benzamide
CID 41246759
3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563684
N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 55646281
N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 27671578
N-[(3R)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-3-yl]acetamide
CID 52507139
3,4-dimethyl-N-[4-(1-oxo-1,4-thiazinane-4-carbonyl)phenyl]benzenesulfonamide
CID 56535834
N-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide
CID 46537325
N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 43009101
N-cyclopropyl-1-[4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 55954695
(2R)-N-cyclopropyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 92730158
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 16606706
N-[4-(1,4-diazepane-1-carbonyl)phenyl]-3,4-dimethylbenzenesulfonamide;hydrochloride
CID 119414705

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-4-yl]benzamide (CID 46678397) is N-[1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-4-yl]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)cc2)cc1C.
What is the InChIKey of N-[1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-4-yl]benzamide?
The InChIKey is VOEJBHWNXCQBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4S/c1-19-8-13-25(18-20(19)2)35(33,34)29-24-11-9-22(10-12-24)27(32)30-16-14-23(15-17-30)28-26(31)21-6-4-3-5-7-21/h3-13,18,23,29H,14-17H2,1-2H3,(H,28,31).
What are the key properties of N-[1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-4-yl]benzamide?
N-[1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-4-yl]benzamide has a molecular weight of 491.61 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46678397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).