2-methoxy-4,5-dimethyl-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzenesulfonamide

C22H28N2O4S — CID 108566975

IUPAC2-methoxy-4,5-dimethyl-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NC1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C22H28N2O4S/c1-15-7-5-6-8-19(15)22(25)24-11-9-18(10-12-24)23-29(26,27)21-14-17(3)16(2)13-20(21)28-4/h5-8,13-14,18,23H,9-12H2,1-4H3
InChIKeyGFVLXYIRFYRXSK-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.20
Rot. Bonds5

About 2-methoxy-4,5-dimethyl-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzenesulfonamide

2-methoxy-4,5-dimethyl-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 108566975) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
PubChem CID108566975
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name2-methoxy-4,5-dimethyl-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NC1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C22H28N2O4S/c1-15-7-5-6-8-19(15)22(25)24-11-9-18(10-12-24)23-29(26,27)21-14-17(3)16(2)13-20(21)28-4/h5-8,13-14,18,23H,9-12H2,1-4H3
InChIKeyGFVLXYIRFYRXSK-UHFFFAOYSA-N
XLogP3.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108564145
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108564642
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108566166
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108564771
methyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821806
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108566208
ethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 35308238
[4-(2-methoxyphenyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 2728064
N-cyclopropyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 35131778
N-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823683
N-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563568
ethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate
CID 32944673

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzenesulfonamide (CID 108566975) is 2-methoxy-4,5-dimethyl-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NC1CCN(C(=O)c2ccccc2C)CC1.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is GFVLXYIRFYRXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-15-7-5-6-8-19(15)22(25)24-11-9-18(10-12-24)23-29(26,27)21-14-17(3)16(2)13-20(21)28-4/h5-8,13-14,18,23H,9-12H2,1-4H3.
What are the key properties of 2-methoxy-4,5-dimethyl-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzenesulfonamide?
2-methoxy-4,5-dimethyl-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 416.54 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 108566975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).