N-[2-(2-bromoanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

C18H20BrN3O5S2 — CID 24983172

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C18H20BrN3O5S2/c19-14-3-1-2-4-15(14)21-17(24)12-20-16(23)11-13-5-6-18(28-13)29(25,26)22-7-9-27-10-8-22/h1-6H,7-12H2,(H,20,23)(H,21,24)
InChIKeyZUHIDLRWWFAYJY-UHFFFAOYSA-N
MW502.41 g/mol
LogP1.83
Rot. Bonds7

About N-[2-(2-bromoanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

N-[2-(2-bromoanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 24983172) has the molecular formula C18H20BrN3O5S2 and a molecular weight of 502.41 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID24983172
Molecular FormulaC18H20BrN3O5S2
Molecular Weight502.41 g/mol
Exact Mass501.00
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C18H20BrN3O5S2/c19-14-3-1-2-4-15(14)21-17(24)12-20-16(23)11-13-5-6-18(28-13)29(25,26)22-7-9-27-10-8-22/h1-6H,7-12H2,(H,20,23)(H,21,24)
InChIKeyZUHIDLRWWFAYJY-UHFFFAOYSA-N
XLogP1.83
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 8839489
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
[2-(2-nitroanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 23938698
N-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 26536910
N-(3-chloro-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 35535192
N-(2-propan-2-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 37133311
N-[2-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 31801318
N-(2-amino-2-methylpropyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119627872
N-(2-bromophenyl)-4-(5-bromothiophen-2-yl)sulfonylpiperazine-1-carboxamide
CID 17217969
(2,6-dimethylphenyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 8765732
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-bromobenzamide
CID 53112446
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 3997101

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 24983172) is N-[2-(2-bromoanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is ZUHIDLRWWFAYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O5S2/c19-14-3-1-2-4-15(14)21-17(24)12-20-16(23)11-13-5-6-18(28-13)29(25,26)22-7-9-27-10-8-22/h1-6H,7-12H2,(H,20,23)(H,21,24).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 502.41 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 24983172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).