N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methylbenzamide

C21H25Cl2N3O4S — CID 24660340

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N(C)CC(=O)NC(C)(C)C)c2)cc1Cl
InChIInChI=1S/C21H25Cl2N3O4S/c1-13-6-7-14(10-18(13)23)25-31(29,30)15-8-9-17(22)16(11-15)20(28)26(5)12-19(27)24-21(2,3)4/h6-11,25H,12H2,1-5H3,(H,24,27)
InChIKeyPVJRBSJCMMYDKQ-UHFFFAOYSA-N
MW486.42 g/mol
LogP4.09
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methylbenzamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methylbenzamide (PubChem CID 24660340) has the molecular formula C21H25Cl2N3O4S and a molecular weight of 486.42 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methylbenzamide
PubChem CID24660340
Molecular FormulaC21H25Cl2N3O4S
Molecular Weight486.42 g/mol
Exact Mass485.09
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N(C)CC(=O)NC(C)(C)C)c2)cc1Cl
InChIInChI=1S/C21H25Cl2N3O4S/c1-13-6-7-14(10-18(13)23)25-31(29,30)15-8-9-17(22)16(11-15)20(28)26(5)12-19(27)24-21(2,3)4/h6-11,25H,12H2,1-5H3,(H,24,27)
InChIKeyPVJRBSJCMMYDKQ-UHFFFAOYSA-N
XLogP4.09
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.42
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide
CID 17395441
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
CID 35030055
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethylbenzamide;hydrochloride
CID 120618559
2-chloro-N-(3-chloro-4-methylphenyl)-5-(dimethylsulfamoyl)benzamide
CID 2665830
methyl 2-bromo-5-[(3-chloro-4-methylphenyl)sulfamoyl]benzoate
CID 55925238
N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-ethyl-5-methylsulfonylbenzamide
CID 31289717
4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 27258307
N-[2-(tert-butylamino)-2-oxoethyl]-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide
CID 24659018
2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-(2,2-dimethylpropyl)acetamide
CID 100800515
N-butyl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 32904267
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 30795639

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methylbenzamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methylbenzamide (CID 24660340) is N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methylbenzamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methylbenzamide is Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N(C)CC(=O)NC(C)(C)C)c2)cc1Cl.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methylbenzamide?
The InChIKey is PVJRBSJCMMYDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O4S/c1-13-6-7-14(10-18(13)23)25-31(29,30)15-8-9-17(22)16(11-15)20(28)26(5)12-19(27)24-21(2,3)4/h6-11,25H,12H2,1-5H3,(H,24,27).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methylbenzamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methylbenzamide has a molecular weight of 486.42 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 24660340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).