2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C23H25N5O4S2 — CID 3238304

IUPAC2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(C)C1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O
InChIInChI=1S/C23H25N5O4S2/c1-14(2)20-22(30)28-21(27-20)17-5-3-4-6-18(17)26-23(28)33-13-19(29)25-12-11-15-7-9-16(10-8-15)34(24,31)32/h3-10,14,20H,11-13H2,1-2H3,(H,25,29)(H2,24,31,32)
InChIKeyWKKLXYJSYPCFFA-UHFFFAOYSA-N
MW499.62 g/mol
LogP2.04
Rot. Bonds7

About 2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 3238304) has the molecular formula C23H25N5O4S2 and a molecular weight of 499.62 g/mol. Its IUPAC name is 2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID3238304
Molecular FormulaC23H25N5O4S2
Molecular Weight499.62 g/mol
Exact Mass499.13
IUPAC Name2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(C)C1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O
InChIInChI=1S/C23H25N5O4S2/c1-14(2)20-22(30)28-21(27-20)17-5-3-4-6-18(17)26-23(28)33-13-19(29)25-12-11-15-7-9-16(10-8-15)34(24,31)32/h3-10,14,20H,11-13H2,1-2H3,(H,25,29)(H2,24,31,32)
InChIKeyWKKLXYJSYPCFFA-UHFFFAOYSA-N
XLogP2.04
TPSA134.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-({2-methyl-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)-N-(2-phenylethyl)acetamide
CID 16028657
2-{[2-(butan-2-yl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-(2-methylphenyl)butanamide
CID 20965633
2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-phenylbutanamide
CID 50798532
2-{[2-(2-methylpropyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-phenylbutanamide
CID 50798587
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2517126
2-[5-[[2-(3-methoxypropylamino)-2-oxoethyl]thio]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(phenylmethyl)acetamide
CID 3235767
2-({2-[2-(butylamino)-2-oxoethyl]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl}thio)-N-(2-methylphenyl)acetamide
CID 3237817
N-cyclohexyl-2-({3-oxo-2-phenyl-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)acetamide
CID 9550359
2-({2-[(butylcarbamoyl)methyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)-N-(3-methylphenyl)acetamide
CID 3237213
2-({2-[2-(benzylamino)-2-oxoethyl]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl}thio)-N-(sec-butyl)acetamide
CID 3244031
2-(5-{[2-(sec-butylamino)-2-oxoethyl]thio}-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl)-N-(4-fluorobenzyl)acetamide
CID 3245101
N-cyclohexyl-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
CID 3250002

Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 3238304) is 2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is CC(C)C1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O.
What is the InChIKey of 2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is WKKLXYJSYPCFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S2/c1-14(2)20-22(30)28-21(27-20)17-5-3-4-6-18(17)26-23(28)33-13-19(29)25-12-11-15-7-9-16(10-8-15)34(24,31)32/h3-10,14,20H,11-13H2,1-2H3,(H,25,29)(H2,24,31,32).
What are the key properties of 2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 499.62 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 3238304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).