N-[3-[2-(2-methyl-5-methylsulfonylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide

C20H22N2O5S — CID 46480929

IUPACN-[3-[2-(2-methyl-5-methylsulfonylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)COc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C20H22N2O5S/c1-13-6-9-17(28(2,25)26)11-18(13)22-19(23)12-27-16-5-3-4-15(10-16)21-20(24)14-7-8-14/h3-6,9-11,14H,7-8,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyIVORTRMKXGFDHL-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.76
Rot. Bonds7

About N-[3-[2-(2-methyl-5-methylsulfonylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-(2-methyl-5-methylsulfonylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 46480929) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is N-[3-[2-(2-methyl-5-methylsulfonylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-(2-methyl-5-methylsulfonylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
PubChem CID46480929
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC NameN-[3-[2-(2-methyl-5-methylsulfonylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)COc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C20H22N2O5S/c1-13-6-9-17(28(2,25)26)11-18(13)22-19(23)12-27-16-5-3-4-15(10-16)21-20(24)14-7-8-14/h3-6,9-11,14H,7-8,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyIVORTRMKXGFDHL-UHFFFAOYSA-N
XLogP2.76
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[2-(2-methyl-5-methylsulfonylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55603366
N-[3-[2-(2-hydroxy-5-methylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 60562038
N-[3-[2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55895003
N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 34193972
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid
CID 119218358
2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9354192
N-[4-methyl-3-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 46487328
N-[3-[2-[4-(methylcarbamoylamino)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46545768
N-[3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55630475
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methylsulfonylbenzamide
CID 55711603
2-(2-fluorophenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 51198508

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-methyl-5-methylsulfonylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-(2-methyl-5-methylsulfonylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide (CID 46480929) is N-[3-[2-(2-methyl-5-methylsulfonylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-(2-methyl-5-methylsulfonylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-(2-methyl-5-methylsulfonylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide is Cc1ccc(S(C)(=O)=O)cc1NC(=O)COc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[2-(2-methyl-5-methylsulfonylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is IVORTRMKXGFDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-13-6-9-17(28(2,25)26)11-18(13)22-19(23)12-27-16-5-3-4-15(10-16)21-20(24)14-7-8-14/h3-6,9-11,14H,7-8,12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-[2-(2-methyl-5-methylsulfonylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-(2-methyl-5-methylsulfonylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 402.47 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-methyl-5-methylsulfonylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46480929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).