N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide

C22H21N5O4S2 — CID 25433418

IUPACN-(3-morpholin-4-ylsulfonylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H21N5O4S2/c28-21(13-27-20-7-2-1-6-18(20)25-22(27)19-14-32-15-23-19)24-16-4-3-5-17(12-16)33(29,30)26-8-10-31-11-9-26/h1-7,12,14-15H,8-11,13H2,(H,24,28)
InChIKeyCTDIUGALDZARNW-UHFFFAOYSA-N
MW483.58 g/mol
LogP2.82
Rot. Bonds6

About N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide

N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (PubChem CID 25433418) has the molecular formula C22H21N5O4S2 and a molecular weight of 483.58 g/mol. Its IUPAC name is N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylsulfonylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
PubChem CID25433418
Molecular FormulaC22H21N5O4S2
Molecular Weight483.58 g/mol
Exact Mass483.10
IUPAC NameN-(3-morpholin-4-ylsulfonylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H21N5O4S2/c28-21(13-27-20-7-2-1-6-18(20)25-22(27)19-14-32-15-23-19)24-16-4-3-5-17(12-16)33(29,30)26-8-10-31-11-9-26/h1-7,12,14-15H,8-11,13H2,(H,24,28)
InChIKeyCTDIUGALDZARNW-UHFFFAOYSA-N
XLogP2.82
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-propoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 38825215
N-(4-fluorophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 24513606
N-(3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-yloxyacetamide
CID 17070441
N-[4-(4-fluorophenoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 1338238
2-(2-ethylsulfanylbenzimidazol-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3642390
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 4663146
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 43026610
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 24643942
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate
CID 4853968
N-[[4-(sulfamoylmethyl)phenyl]methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 41388137
N-(3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 16530319
4-methyl-N-[(1S)-1-[1-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]benzimidazol-2-yl]ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (CID 25433418) is N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The InChIKey is CTDIUGALDZARNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4S2/c28-21(13-27-20-7-2-1-6-18(20)25-22(27)19-14-32-15-23-19)24-16-4-3-5-17(12-16)33(29,30)26-8-10-31-11-9-26/h1-7,12,14-15H,8-11,13H2,(H,24,28).
What are the key properties of N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide has a molecular weight of 483.58 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 25433418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).