N-(3-bromophenyl)-2-[(3E)-3-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]acetamide

C23H19BrN4O4S — CID 1341721

IUPACN-(3-bromophenyl)-2-[(3E)-3-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]acetamide
SMILESO=C(CN1C(=O)/C(=C2/SC(N3CCOCC3)=NC2=O)c2ccccc21)Nc1cccc(Br)c1
InChIInChI=1S/C23H19BrN4O4S/c24-14-4-3-5-15(12-14)25-18(29)13-28-17-7-2-1-6-16(17)19(22(28)31)20-21(30)26-23(33-20)27-8-10-32-11-9-27/h1-7,12H,8-11,13H2,(H,25,29)/b20-19+
InChIKeyMJWUSGWBAJJMFR-FMQUCBEESA-N
MW527.40 g/mol
LogP3.11
Rot. Bonds3

About N-(3-bromophenyl)-2-[(3E)-3-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]acetamide

N-(3-bromophenyl)-2-[(3E)-3-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]acetamide (PubChem CID 1341721) has the molecular formula C23H19BrN4O4S and a molecular weight of 527.40 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[(3E)-3-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[(3E)-3-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]acetamide
PubChem CID1341721
Molecular FormulaC23H19BrN4O4S
Molecular Weight527.40 g/mol
Exact Mass526.03
IUPAC NameN-(3-bromophenyl)-2-[(3E)-3-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]acetamide
SMILESO=C(CN1C(=O)/C(=C2/SC(N3CCOCC3)=NC2=O)c2ccccc21)Nc1cccc(Br)c1
InChIInChI=1S/C23H19BrN4O4S/c24-14-4-3-5-15(12-14)25-18(29)13-28-17-7-2-1-6-16(17)19(22(28)31)20-21(30)26-23(33-20)27-8-10-32-11-9-27/h1-7,12H,8-11,13H2,(H,25,29)/b20-19+
InChIKeyMJWUSGWBAJJMFR-FMQUCBEESA-N
XLogP3.11
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromophenyl)-2-[(3Z)-3-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)-2-oxo-3a,7a-dihydroindol-1-yl]acetamide
CID 87923271
2-morpholin-4-yl-5-(2-oxo-1-propylindol-3-ylidene)-1,3-thiazol-4-one
CID 1118412
(5Z)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-2-morpholin-4-yl-1,3-thiazol-4-one
CID 659665
2-[5-[1-[2-(3-methylanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 3864558
2-[(3E)-3-(2-amino-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]-N-(4-chlorophenyl)acetamide
CID 50741405
N-(3-bromophenyl)-2-(6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl)acetamide
CID 46386875
N-(3-chlorophenyl)-2-[2-oxo-3-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetamide
CID 3692346
2-[(5Z)-5-[1-[2-(3-chloroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
CID 6034637
2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(3-methylphenyl)acetamide
CID 6051650
N-(3-bromophenyl)-2-(morpholin-4-ylamino)acetamide
CID 83021926
2-[(3E)-3-(2-amino-4-oxo-1,3-thiazol-5-ylidene)-5-bromo-2-oxoindol-1-yl]-N-(4-fluorophenyl)acetamide
CID 50741336
2-[(3Z)-3-[3-[(2R)-2-ethylhexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(3-methylphenyl)acetamide
CID 41011034

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[(3E)-3-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[(3E)-3-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]acetamide (CID 1341721) is N-(3-bromophenyl)-2-[(3E)-3-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[(3E)-3-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[(3E)-3-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]acetamide is O=C(CN1C(=O)/C(=C2/SC(N3CCOCC3)=NC2=O)c2ccccc21)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[(3E)-3-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]acetamide?
The InChIKey is MJWUSGWBAJJMFR-FMQUCBEESA-N. The full InChI is InChI=1S/C23H19BrN4O4S/c24-14-4-3-5-15(12-14)25-18(29)13-28-17-7-2-1-6-16(17)19(22(28)31)20-21(30)26-23(33-20)27-8-10-32-11-9-27/h1-7,12H,8-11,13H2,(H,25,29)/b20-19+.
What are the key properties of N-(3-bromophenyl)-2-[(3E)-3-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]acetamide?
N-(3-bromophenyl)-2-[(3E)-3-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]acetamide has a molecular weight of 527.40 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[(3E)-3-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]acetamide is sourced from PubChem (CID 1341721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).