N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

C17H16BrF3N2O4S2 — CID 25161530

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C17H16BrF3N2O4S2/c18-14-3-1-11(9-13(14)17(19,20)21)22-15(24)10-12-2-4-16(28-12)29(25,26)23-5-7-27-8-6-23/h1-4,9H,5-8,10H2,(H,22,24)
InChIKeyNDMQICQSKFMMOK-UHFFFAOYSA-N
MW513.36 g/mol
LogP3.73
Rot. Bonds5

About N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 25161530) has the molecular formula C17H16BrF3N2O4S2 and a molecular weight of 513.36 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID25161530
Molecular FormulaC17H16BrF3N2O4S2
Molecular Weight513.36 g/mol
Exact Mass511.97
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C17H16BrF3N2O4S2/c18-14-3-1-11(9-13(14)17(19,20)21)22-15(24)10-12-2-4-16(28-12)29(25,26)23-5-7-27-8-6-23/h1-4,9H,5-8,10H2,(H,22,24)
InChIKeyNDMQICQSKFMMOK-UHFFFAOYSA-N
XLogP3.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-Bromo-3-methylphenyl)-1-[(5-bromothiophen-2-YL)sulfonyl]piperidine-3-carboxamide
CID 15989602
5-bromo-N-(4-methylphenyl)-4-(4-morpholinylsulfonyl)-2-thiophenecarboxamide
CID 992214
N-(2-bromophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2414996
N-(4-Bromo-3-methylphenyl)-4-[(5-bromothiophene-2-sulfonamido)methyl]cyclohexane-1-carboxamide
CID 15989658
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 24979500
1-[(5-Bromothiophen-2-YL)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 15989575
N-(4-Bromo-3-methylphenyl)-1-[(5-bromothiophen-2-YL)sulfonyl]piperidine-4-carboxamide
CID 15989550
2-(5-Morpholin-4-ylsulfonylthiophen-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 24817867
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 24980124
N-[2-(2-bromoanilino)-2-oxoethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 24983172
N-[3,5-bis(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 25161817
1-[(5-Bromothiophen-2-YL)sulfonyl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 15989638

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 25161530) is N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is NDMQICQSKFMMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF3N2O4S2/c18-14-3-1-11(9-13(14)17(19,20)21)22-15(24)10-12-2-4-16(28-12)29(25,26)23-5-7-27-8-6-23/h1-4,9H,5-8,10H2,(H,22,24).
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 513.36 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 25161530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).