3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide

C24H33N3O4S — CID 55361577

IUPAC3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(N(C)C)CCCC2)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C24H33N3O4S/c1-26(2)24(14-8-9-15-24)18-25-23(28)20-12-13-21(31-4)22(16-20)32(29,30)27(3)17-19-10-6-5-7-11-19/h5-7,10-13,16H,8-9,14-15,17-18H2,1-4H3,(H,25,28)
InChIKeyZJTKTTPYNSWLJM-UHFFFAOYSA-N
MW459.61 g/mol
LogP3.12
Rot. Bonds9

About 3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide

3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide (PubChem CID 55361577) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is 3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide
PubChem CID55361577
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC Name3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(N(C)C)CCCC2)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C24H33N3O4S/c1-26(2)24(14-8-9-15-24)18-25-23(28)20-12-13-21(31-4)22(16-20)32(29,30)27(3)17-19-10-6-5-7-11-19/h5-7,10-13,16H,8-9,14-15,17-18H2,1-4H3,(H,25,28)
InChIKeyZJTKTTPYNSWLJM-UHFFFAOYSA-N
XLogP3.12
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119503968
3-(cyclopropylsulfamoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methoxybenzamide
CID 18155370
3-[benzyl(methyl)sulfamoyl]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 40984734
3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide
CID 56517189
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide
CID 104783189
3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 31986975
3-[[1-(dimethylamino)cycloheptyl]methylsulfamoyl]-4-methoxybenzoic acid
CID 45422378
N-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 55589275
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 55387091
N-[3-[benzyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26945772
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 55496293
N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide
CID 39915609

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide?
The IUPAC name of 3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide (CID 55361577) is 3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide?
The canonical SMILES for 3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC2(N(C)C)CCCC2)cc1S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide?
The InChIKey is ZJTKTTPYNSWLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-26(2)24(14-8-9-15-24)18-25-23(28)20-12-13-21(31-4)22(16-20)32(29,30)27(3)17-19-10-6-5-7-11-19/h5-7,10-13,16H,8-9,14-15,17-18H2,1-4H3,(H,25,28).
What are the key properties of 3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide?
3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide has a molecular weight of 459.61 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 55361577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).