2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide

C14H17ClN4O3S — CID 35327328

IUPAC2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ncn(C)c2Cl)cc1
InChIInChI=1S/C14H17ClN4O3S/c1-10-4-6-11(7-5-10)17-12(20)8-19(3)23(21,22)14-13(15)18(2)9-16-14/h4-7,9H,8H2,1-3H3,(H,17,20)
InChIKeyBYUREEFBFXJUAX-UHFFFAOYSA-N
MW356.84 g/mol
LogP1.64
Rot. Bonds5

About 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide

2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 35327328) has the molecular formula C14H17ClN4O3S and a molecular weight of 356.84 g/mol. Its IUPAC name is 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID35327328
Molecular FormulaC14H17ClN4O3S
Molecular Weight356.84 g/mol
Exact Mass356.07
IUPAC Name2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ncn(C)c2Cl)cc1
InChIInChI=1S/C14H17ClN4O3S/c1-10-4-6-11(7-5-10)17-12(20)8-19(3)23(21,22)14-13(15)18(2)9-16-14/h4-7,9H,8H2,1-3H3,(H,17,20)
InChIKeyBYUREEFBFXJUAX-UHFFFAOYSA-N
XLogP1.64
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-ethylacetamide
CID 47256582
N-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 2545228
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 40735304
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 24677998
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7957178
N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 100781076
2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 51343169
N-(4-chlorophenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345333
2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 3245497
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methylbenzimidazol-5-yl)acetamide
CID 46975012
2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2459457

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide (CID 35327328) is 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ncn(C)c2Cl)cc1.
What is the InChIKey of 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is BYUREEFBFXJUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3S/c1-10-4-6-11(7-5-10)17-12(20)8-19(3)23(21,22)14-13(15)18(2)9-16-14/h4-7,9H,8H2,1-3H3,(H,17,20).
What are the key properties of 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide?
2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 356.84 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 35327328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).