N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide

C24H24N4O4S2 — CID 17428999

IUPACN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
SMILESCC(NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C24H24N4O4S2/c1-18(19-5-7-21(8-6-19)28-14-13-25-17-28)26-23(29)16-32-22-11-9-20(10-12-22)27(2)34(30,31)24-4-3-15-33-24/h3-15,17-18H,16H2,1-2H3,(H,26,29)
InChIKeyNUASZSOGMKUCSU-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.02
Rot. Bonds9

About N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide

N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide (PubChem CID 17428999) has the molecular formula C24H24N4O4S2 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
PubChem CID17428999
Molecular FormulaC24H24N4O4S2
Molecular Weight496.61 g/mol
Exact Mass496.12
IUPAC NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
SMILESCC(NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C24H24N4O4S2/c1-18(19-5-7-21(8-6-19)28-14-13-25-17-28)26-23(29)16-32-22-11-9-20(10-12-22)27(2)34(30,31)24-4-3-15-33-24/h3-15,17-18H,16H2,1-2H3,(H,26,29)
InChIKeyNUASZSOGMKUCSU-UHFFFAOYSA-N
XLogP4.02
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methylpropyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057857
2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25352795
N-[(2S)-1-aminopropan-2-yl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 120506152
N-ethyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057856
N-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 97235373
methyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 42982225
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 25367883
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-phenoxyethoxy)acetamide
CID 46458287
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 25346414
2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 41419280
N-(4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16547796
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 25351535

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
The IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide (CID 17428999) is N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide.
What is the SMILES notation for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
The canonical SMILES for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide is CC(NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
The InChIKey is NUASZSOGMKUCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S2/c1-18(19-5-7-21(8-6-19)28-14-13-25-17-28)26-23(29)16-32-22-11-9-20(10-12-22)27(2)34(30,31)24-4-3-15-33-24/h3-15,17-18H,16H2,1-2H3,(H,26,29).
What are the key properties of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide has a molecular weight of 496.61 g/mol, XLogP of 4.02, 9 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]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide is sourced from PubChem (CID 17428999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).