N-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide

C18H20N2O4S — CID 30265676

IUPACN-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CC1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C18H20N2O4S/c1-25(22,23)20(13-18(21)19-14-11-12-14)16-9-5-6-10-17(16)24-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,19,21)
InChIKeyBXUTYVHJUGMBOB-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.52
Rot. Bonds7

About N-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide

N-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide (PubChem CID 30265676) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
PubChem CID30265676
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CC1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C18H20N2O4S/c1-25(22,23)20(13-18(21)19-14-11-12-14)16-9-5-6-10-17(16)24-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,19,21)
InChIKeyBXUTYVHJUGMBOB-UHFFFAOYSA-N
XLogP2.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30255339
N-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 846470
N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 100608249
N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30275443
N-[2-(dimethylamino)ethyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30271957
2-(N-acetyl-2-phenoxyanilino)-N-cycloheptylacetamide
CID 113179225
N-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 43899457
2-[[2-(N-methylsulfonyl-2-phenoxyanilino)acetyl]amino]benzamide
CID 30276893
N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30262141
2-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylphenyl)acetamide
CID 30271434
N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30258183
N-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30268858

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
The IUPAC name of N-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide (CID 30265676) is N-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
The canonical SMILES for N-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide is CS(=O)(=O)N(CC(=O)NC1CC1)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
The InChIKey is BXUTYVHJUGMBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-25(22,23)20(13-18(21)19-14-11-12-14)16-9-5-6-10-17(16)24-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,19,21).
What are the key properties of N-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
N-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide has a molecular weight of 360.44 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide is sourced from PubChem (CID 30265676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).