5-bromo-N-[(4R)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-oxo-4-propylpyrrolidin-3-yl]thiophene-2-carboxamide

C23H26BrN3O4S — CID 143254118

IUPAC5-bromo-N-[(4R)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-oxo-4-propylpyrrolidin-3-yl]thiophene-2-carboxamide
SMILESCCC[C@H]1C(=O)N(c2ccc(N3CCOCC3=O)c(C)c2)CC1NC(=O)c1ccc(Br)s1
InChIInChI=1S/C23H26BrN3O4S/c1-3-4-16-17(25-22(29)19-7-8-20(24)32-19)12-27(23(16)30)15-5-6-18(14(2)11-15)26-9-10-31-13-21(26)28/h5-8,11,16-17H,3-4,9-10,12-13H2,1-2H3,(H,25,29)/t16-,17?/m1/s1
InChIKeyZYOYUSJDAYEKDS-TZHYSIJRSA-N
MW520.45 g/mol
LogP3.74
Rot. Bonds6

About 5-bromo-N-[(4R)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-oxo-4-propylpyrrolidin-3-yl]thiophene-2-carboxamide

5-bromo-N-[(4R)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-oxo-4-propylpyrrolidin-3-yl]thiophene-2-carboxamide (PubChem CID 143254118) has the molecular formula C23H26BrN3O4S and a molecular weight of 520.45 g/mol. Its IUPAC name is 5-bromo-N-[(4R)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-oxo-4-propylpyrrolidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4R)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-oxo-4-propylpyrrolidin-3-yl]thiophene-2-carboxamide
PubChem CID143254118
Molecular FormulaC23H26BrN3O4S
Molecular Weight520.45 g/mol
Exact Mass519.08
IUPAC Name5-bromo-N-[(4R)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-oxo-4-propylpyrrolidin-3-yl]thiophene-2-carboxamide
SMILESCCC[C@H]1C(=O)N(c2ccc(N3CCOCC3=O)c(C)c2)CC1NC(=O)c1ccc(Br)s1
InChIInChI=1S/C23H26BrN3O4S/c1-3-4-16-17(25-22(29)19-7-8-20(24)32-19)12-27(23(16)30)15-5-6-18(14(2)11-15)26-9-10-31-13-21(26)28/h5-8,11,16-17H,3-4,9-10,12-13H2,1-2H3,(H,25,29)/t16-,17?/m1/s1
InChIKeyZYOYUSJDAYEKDS-TZHYSIJRSA-N
XLogP3.74
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[4-methoxy-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 11555256
5-bromo-N-[(4R)-4-methoxy-1-[3-methyl-4-(5-oxo-1,4-oxazepan-4-yl)phenyl]-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 11511970
5-bromo-N-[1-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 69066635
(5-bromothiophen-2-yl) N-[(3R,4R)-4-methyl-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-oxopyrrolidin-3-yl]carbamate
CID 69378446
5-bromo-N-[5-methylidene-1-[3-methyl-4-(5-oxo-1,4-oxazepan-4-yl)phenyl]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 143254163
1-[(5-bromothiophene-2-carbonyl)amino]-1-(cyclopropylmethyl)-3-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]urea
CID 67100549
5-bromo-N-[(3R)-1-[3-methyl-4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 69075657
5-bromo-N-[(3R)-5-oxo-1-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 11568908
5-chloro-N-[[5-methyl-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 25099709
5-bromo-N-[2-methyl-1-oxo-1-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 69058430
5-methyl-N-[[2-(3-methylimidazol-4-yl)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 143419837
5-chloro-N-[[1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-3-phenylpyrazol-4-yl]methyl]thiophene-2-carboxamide
CID 57436930

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4R)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-oxo-4-propylpyrrolidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(4R)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-oxo-4-propylpyrrolidin-3-yl]thiophene-2-carboxamide (CID 143254118) is 5-bromo-N-[(4R)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-oxo-4-propylpyrrolidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4R)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-oxo-4-propylpyrrolidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(4R)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-oxo-4-propylpyrrolidin-3-yl]thiophene-2-carboxamide is CCC[C@H]1C(=O)N(c2ccc(N3CCOCC3=O)c(C)c2)CC1NC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(4R)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-oxo-4-propylpyrrolidin-3-yl]thiophene-2-carboxamide?
The InChIKey is ZYOYUSJDAYEKDS-TZHYSIJRSA-N. The full InChI is InChI=1S/C23H26BrN3O4S/c1-3-4-16-17(25-22(29)19-7-8-20(24)32-19)12-27(23(16)30)15-5-6-18(14(2)11-15)26-9-10-31-13-21(26)28/h5-8,11,16-17H,3-4,9-10,12-13H2,1-2H3,(H,25,29)/t16-,17?/m1/s1.
What are the key properties of 5-bromo-N-[(4R)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-oxo-4-propylpyrrolidin-3-yl]thiophene-2-carboxamide?
5-bromo-N-[(4R)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-oxo-4-propylpyrrolidin-3-yl]thiophene-2-carboxamide has a molecular weight of 520.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4R)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-oxo-4-propylpyrrolidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 143254118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).