N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

C22H29N3O3S — CID 56510388

IUPACN,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)CCN3CCCC3)c2)cc1
InChIInChI=1S/C22H29N3O3S/c1-17-6-9-19(10-7-17)23-29(27,28)20-11-8-18(2)21(16-20)22(26)24(3)14-15-25-12-4-5-13-25/h6-11,16,23H,4-5,12-15H2,1-3H3
InChIKeyVOIACVUIZSRLBD-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.27
Rot. Bonds7

About N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 56510388) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound NameN,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID56510388
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)CCN3CCCC3)c2)cc1
InChIInChI=1S/C22H29N3O3S/c1-17-6-9-19(10-7-17)23-29(27,28)20-11-8-18(2)21(16-20)22(26)24(3)14-15-25-12-4-5-13-25/h6-11,16,23H,4-5,12-15H2,1-3H3
InChIKeyVOIACVUIZSRLBD-UHFFFAOYSA-N
XLogP3.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 55535046
N-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 56509866
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 42999156
5-[(4-ethoxyphenyl)sulfamoyl]-N,2-dimethyl-N-propylbenzamide
CID 86866408
3-(4-acetylpiperazine-1-carbonyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42992454
2-bromo-5-(cyclopropylsulfamoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 56509479
3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 43009938
3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 55645981
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 51163000
N-(cyclopropylmethyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 24670405
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide
CID 119554301
4-[(2,3-dimethylphenyl)sulfamoyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 56510258

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 56510388) is N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)CCN3CCCC3)c2)cc1.
What is the InChIKey of N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is VOIACVUIZSRLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-17-6-9-19(10-7-17)23-29(27,28)20-11-8-18(2)21(16-20)22(26)24(3)14-15-25-12-4-5-13-25/h6-11,16,23H,4-5,12-15H2,1-3H3.
What are the key properties of N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 415.56 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 56510388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).