N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

C23H26N4O5S — CID 4845845

IUPACN-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(-n3ccnc3)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H26N4O5S/c1-17(18-3-6-20(7-4-18)26-10-9-24-16-26)25-23(28)19-5-8-21(31-2)22(15-19)33(29,30)27-11-13-32-14-12-27/h3-10,15-17H,11-14H2,1-2H3,(H,25,28)
InChIKeyQAOWWIGDOHRHIG-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.39
Rot. Bonds7

About N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 4845845) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
PubChem CID4845845
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(-n3ccnc3)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H26N4O5S/c1-17(18-3-6-20(7-4-18)26-10-9-24-16-26)25-23(28)19-5-8-21(31-2)22(15-19)33(29,30)27-11-13-32-14-12-27/h3-10,15-17H,11-14H2,1-2H3,(H,25,28)
InChIKeyQAOWWIGDOHRHIG-UHFFFAOYSA-N
XLogP2.39
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 25350523
4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 8712994
4-methoxy-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 28557822
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 41254072
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27773305
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-imidazol-1-ylbenzamide
CID 31533466
N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 28557782
4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 93486226
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 41184329
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,5-dimethoxybenzamide
CID 42916141
3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 31206996
4-methoxy-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 1107091

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (CID 4845845) is N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(C(=O)NC(C)c2ccc(-n3ccnc3)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is QAOWWIGDOHRHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-17(18-3-6-20(7-4-18)26-10-9-24-16-26)25-23(28)19-5-8-21(31-2)22(15-19)33(29,30)27-11-13-32-14-12-27/h3-10,15-17H,11-14H2,1-2H3,(H,25,28).
What are the key properties of N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 470.55 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 4845845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).