N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide

C21H26N2O4S — CID 56503283

IUPACN,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)CC3CCCO3)c2)c1
InChIInChI=1S/C21H26N2O4S/c1-15-6-4-7-17(12-15)22-28(25,26)19-10-9-16(2)20(13-19)21(24)23(3)14-18-8-5-11-27-18/h4,6-7,9-10,12-13,18,22H,5,8,11,14H2,1-3H3
InChIKeyYOUDSXQKRIFEOG-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.36
Rot. Bonds6

About N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide

N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 56503283) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID56503283
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)CC3CCCO3)c2)c1
InChIInChI=1S/C21H26N2O4S/c1-15-6-4-7-17(12-15)22-28(25,26)19-10-9-16(2)20(13-19)21(24)23(3)14-18-8-5-11-27-18/h4,6-7,9-10,12-13,18,22H,5,8,11,14H2,1-3H3
InChIKeyYOUDSXQKRIFEOG-UHFFFAOYSA-N
XLogP3.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 56503413
N-(cyclopropylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-propylbenzamide
CID 55350913
N-(2-cyanoethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxan-4-yl)benzamide
CID 56572383
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide
CID 30601752
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 30795639
2-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436423
3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]benzenesulfonamide
CID 113066210
2-methyl-N-[2-(methylamino)ethyl]-5-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119500518
N-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 119405384
N-(3-methylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149674
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 26712447
2-hydroxy-N,5-dimethyl-N-(oxan-2-ylmethyl)benzamide
CID 47344741

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide (CID 56503283) is N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide is Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)CC3CCCO3)c2)c1.
What is the InChIKey of N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is YOUDSXQKRIFEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15-6-4-7-17(12-15)22-28(25,26)19-10-9-16(2)20(13-19)21(24)23(3)14-18-8-5-11-27-18/h4,6-7,9-10,12-13,18,22H,5,8,11,14H2,1-3H3.
What are the key properties of N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 402.52 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 56503283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).