2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C22H19ClN4O5S — CID 2349135

IUPAC2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCN(c1ccc(OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN4O5S/c1-27(33(30,31)18-9-2-14(23)3-10-18)16-5-7-17(8-6-16)32-13-21(28)24-15-4-11-19-20(12-15)26-22(29)25-19/h2-12H,13H2,1H3,(H,24,28)(H2,25,26,29)
InChIKeySKKLFPDPTBZLAG-UHFFFAOYSA-N
MW486.94 g/mol
LogP3.35
Rot. Bonds7

About 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 2349135) has the molecular formula C22H19ClN4O5S and a molecular weight of 486.94 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID2349135
Molecular FormulaC22H19ClN4O5S
Molecular Weight486.94 g/mol
Exact Mass486.08
IUPAC Name2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCN(c1ccc(OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN4O5S/c1-27(33(30,31)18-9-2-14(23)3-10-18)16-5-7-17(8-6-16)32-13-21(28)24-15-4-11-19-20(12-15)26-22(29)25-19/h2-12H,13H2,1H3,(H,24,28)(H2,25,26,29)
InChIKeySKKLFPDPTBZLAG-UHFFFAOYSA-N
XLogP3.35
TPSA124.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.94
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 2333223
2-(4-Chlorophenoxy)-N-(1,3-dimethyl-2-oxo-1,3-benzodiazol-5-YL)acetamide
CID 6491422
4-chloro-N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)benzenesulfonamide
CID 50796734
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 2361772
Tert-butyl 2-[5-[2-(4-chlorophenoxy)ethyl-(4-fluorophenyl)sulfonylamino]-2-propyl-1,3-dihydrobenzimidazol-2-yl]acetate
CID 68805603
2-[5-[2-(4-Chlorophenoxy)ethyl-(4-fluorophenyl)sulfonylamino]-2-propyl-1,3-dihydrobenzimidazol-2-yl]acetic acid
CID 68806217
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-difluorophenyl)acetamide
CID 42989068
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3-fluorophenyl)acetamide
CID 45640447
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(2,4-difluorophenyl)acetamide
CID 45640482
2-(4-Chlorophenoxy)-N-[1,3-dimethyl-2-oxo-6-(piperidin-1-YL)-2,3-dihydro-1H-1,3-benzodiazol-5-YL]acetamide
CID 22433703
2-(4-chlorophenoxy)-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)acetamide
CID 22433704
4-Chloro-N-(6-methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL)benzene-1-sulfonamide
CID 22433923

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 2349135) is 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is CN(c1ccc(OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is SKKLFPDPTBZLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O5S/c1-27(33(30,31)18-9-2-14(23)3-10-18)16-5-7-17(8-6-16)32-13-21(28)24-15-4-11-19-20(12-15)26-22(29)25-19/h2-12H,13H2,1H3,(H,24,28)(H2,25,26,29).
What are the key properties of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 486.94 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 2349135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).