2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(3-fluorophenyl)acetamide

C18H20FN3O4S — CID 9412305

IUPAC2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(3-fluorophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)Nc2cccc(F)c2)cc1C
InChIInChI=1S/C18H20FN3O4S/c1-12-6-7-16(8-13(12)2)27(25,26)21-11-17(23)20-10-18(24)22-15-5-3-4-14(19)9-15/h3-9,21H,10-11H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyLQWKJVZMCOKJSZ-UHFFFAOYSA-N
MW393.44 g/mol
LogP1.48
Rot. Bonds7

About 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(3-fluorophenyl)acetamide

2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(3-fluorophenyl)acetamide (PubChem CID 9412305) has the molecular formula C18H20FN3O4S and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(3-fluorophenyl)acetamide
PubChem CID9412305
Molecular FormulaC18H20FN3O4S
Molecular Weight393.44 g/mol
Exact Mass393.12
IUPAC Name2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(3-fluorophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)Nc2cccc(F)c2)cc1C
InChIInChI=1S/C18H20FN3O4S/c1-12-6-7-16(8-13(12)2)27(25,26)21-11-17(23)20-10-18(24)22-15-5-3-4-14(19)9-15/h3-9,21H,10-11H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyLQWKJVZMCOKJSZ-UHFFFAOYSA-N
XLogP1.48
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-[(4-methyl-3-nitrophenyl)sulfonylamino]acetamide
CID 60608176
methyl 3-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 112999907
2-(benzenesulfonamido)-N-(3-fluorophenyl)acetamide
CID 891841
N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9039784
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 52813347
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998662
N-(3-chloro-4-methylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 112998194
N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112996585
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 113000466
N-(3-chlorophenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9042351
N-(3-fluorophenyl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide
CID 113000475
N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
CID 9098883

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(3-fluorophenyl)acetamide (CID 9412305) is 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(3-fluorophenyl)acetamide is Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)Nc2cccc(F)c2)cc1C.
What is the InChIKey of 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(3-fluorophenyl)acetamide?
The InChIKey is LQWKJVZMCOKJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4S/c1-12-6-7-16(8-13(12)2)27(25,26)21-11-17(23)20-10-18(24)22-15-5-3-4-14(19)9-15/h3-9,21H,10-11H2,1-2H3,(H,20,23)(H,22,24).
What are the key properties of 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(3-fluorophenyl)acetamide?
2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(3-fluorophenyl)acetamide has a molecular weight of 393.44 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 9412305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).