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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Related Compounds

2-(2-Thienyl)-4(3H)-quinazolinone
CID 135415499
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide
CID 135429093
N-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]thiophene-2-carboxamide
CID 135414635
N-[(4-Oxo-3,4-Dihydroquinazolin-2-Yl)methyl]-3-Phenyl-N-(Thiophen-2-Ylmethyl)propanamide
CID 135478170
N-[2-(phenylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 715970
N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614
2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-phenylacetamide
CID 855776
N-methyl-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
CID 2102984
3-[(phenylsulfanyl)methyl]-2,3-dihydro-5H-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 2767705
2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 6460856
2-[(3,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-N-(4-methylphenyl)acetamide
CID 6491564
2-Ethylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 8110222

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).