2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

C19H20N4O4S — CID 56501159

IUPAC2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)Nc2sc(C)c(C)c2C(N)=O)c1=O
InChIInChI=1S/C19H20N4O4S/c1-4-22-18(26)12-7-5-6-8-13(12)23(19(22)27)9-14(24)21-17-15(16(20)25)10(2)11(3)28-17/h5-8H,4,9H2,1-3H3,(H2,20,25)(H,21,24)
InChIKeyNMISYMWXNZNHJK-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.60
Rot. Bonds5

About 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 56501159) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID56501159
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)Nc2sc(C)c(C)c2C(N)=O)c1=O
InChIInChI=1S/C19H20N4O4S/c1-4-22-18(26)12-7-5-6-8-13(12)23(19(22)27)9-14(24)21-17-15(16(20)25)10(2)11(3)28-17/h5-8H,4,9H2,1-3H3,(H2,20,25)(H,21,24)
InChIKeyNMISYMWXNZNHJK-UHFFFAOYSA-N
XLogP1.60
TPSA116.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide with MolForge

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Related Compounds

2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 108806511
ethyl 4,5-dimethyl-2-[[2-(4-methyl-2-oxoquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 39767995
N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857
ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 17432004
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26737786
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 6502232
2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 26660566
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6502231
N-(3-bromophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465653
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 35278255
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide
CID 9400092

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 56501159) is 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is CCn1c(=O)c2ccccc2n(CC(=O)Nc2sc(C)c(C)c2C(N)=O)c1=O.
What is the InChIKey of 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is NMISYMWXNZNHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-4-22-18(26)12-7-5-6-8-13(12)23(19(22)27)9-14(24)21-17-15(16(20)25)10(2)11(3)28-17/h5-8H,4,9H2,1-3H3,(H2,20,25)(H,21,24).
What are the key properties of 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 56501159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).