2-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide

C16H14N4O3S2 — CID 5239489

IUPAC2-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
SMILESCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C16H14N4O3S2/c1-20-15(23)9-4-2-3-5-11(9)18-16(20)25-8-12(21)19-14-10(13(17)22)6-7-24-14/h2-7H,8H2,1H3,(H2,17,22)(H,19,21)
InChIKeyFGTRLAKOASFRSP-UHFFFAOYSA-N
MW374.45 g/mol
LogP1.82
Rot. Bonds5

About 2-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide

2-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide (PubChem CID 5239489) has the molecular formula C16H14N4O3S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
PubChem CID5239489
Molecular FormulaC16H14N4O3S2
Molecular Weight374.45 g/mol
Exact Mass374.05
IUPAC Name2-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
SMILESCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C16H14N4O3S2/c1-20-15(23)9-4-2-3-5-11(9)18-16(20)25-8-12(21)19-14-10(13(17)22)6-7-24-14/h2-7H,8H2,1H3,(H2,17,22)(H,19,21)
InChIKeyFGTRLAKOASFRSP-UHFFFAOYSA-N
XLogP1.82
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide (CID 5239489) is 2-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide is Cn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc2c1=O.
What is the InChIKey of 2-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide?
The InChIKey is FGTRLAKOASFRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S2/c1-20-15(23)9-4-2-3-5-11(9)18-16(20)25-8-12(21)19-14-10(13(17)22)6-7-24-14/h2-7H,8H2,1H3,(H2,17,22)(H,19,21).
What are the key properties of 2-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide?
2-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 5239489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).