N-(2,5-dimethylphenyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide

C19H21N3O3S2 — CID 20889170

IUPACN-(2,5-dimethylphenyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc3nc(C)sc3c2)c1
InChIInChI=1S/C19H21N3O3S2/c1-12-5-6-13(2)17(9-12)21-19(23)11-22(4)27(24,25)15-7-8-16-18(10-15)26-14(3)20-16/h5-10H,11H2,1-4H3,(H,21,23)
InChIKeyQYWJSNJKFUVSIZ-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.48
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide

N-(2,5-dimethylphenyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide (PubChem CID 20889170) has the molecular formula C19H21N3O3S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide
PubChem CID20889170
Molecular FormulaC19H21N3O3S2
Molecular Weight403.53 g/mol
Exact Mass403.10
IUPAC NameN-(2,5-dimethylphenyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc3nc(C)sc3c2)c1
InChIInChI=1S/C19H21N3O3S2/c1-12-5-6-13(2)17(9-12)21-19(23)11-22(4)27(24,25)15-7-8-16-18(10-15)26-14(3)20-16/h5-10H,11H2,1-4H3,(H,21,23)
InChIKeyQYWJSNJKFUVSIZ-UHFFFAOYSA-N
XLogP3.48
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide
CID 20889188
2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-[2-(3-methylphenyl)ethyl]acetamide
CID 20889191
N-(3-methylbutyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide
CID 20889174
N-(2,5-diethoxyphenyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide
CID 6620236
N-(2,5-dimethylphenyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 40690990
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide
CID 20889157
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100790294
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 38040224
2-methyl-1,3-benzothiazole-6-sulfonyl fluoride
CID 150804150
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N,2-dimethyl-1,3-benzothiazole-6-sulfonamide
CID 3245703
2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 41051668
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[ethylsulfonyl(methyl)amino]acetamide
CID 100784760

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide (CID 20889170) is N-(2,5-dimethylphenyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide is Cc1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc3nc(C)sc3c2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide?
The InChIKey is QYWJSNJKFUVSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S2/c1-12-5-6-13(2)17(9-12)21-19(23)11-22(4)27(24,25)15-7-8-16-18(10-15)26-14(3)20-16/h5-10H,11H2,1-4H3,(H,21,23).
What are the key properties of N-(2,5-dimethylphenyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide?
N-(2,5-dimethylphenyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide has a molecular weight of 403.53 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide is sourced from PubChem (CID 20889170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).