2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]thiophene-3-carboxamide

C17H12N4O4S — CID 17423737

IUPAC2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O
InChIInChI=1S/C17H12N4O4S/c18-15(23)10-5-6-26-16(10)20-12(22)7-21-8-19-13-9-3-1-2-4-11(9)25-14(13)17(21)24/h1-6,8H,7H2,(H2,18,23)(H,20,22)
InChIKeySCPOSFKVJDRSLZ-UHFFFAOYSA-N
MW368.37 g/mol
LogP1.94
Rot. Bonds4

About 2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]thiophene-3-carboxamide

2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]thiophene-3-carboxamide (PubChem CID 17423737) has the molecular formula C17H12N4O4S and a molecular weight of 368.37 g/mol. Its IUPAC name is 2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]thiophene-3-carboxamide
PubChem CID17423737
Molecular FormulaC17H12N4O4S
Molecular Weight368.37 g/mol
Exact Mass368.06
IUPAC Name2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O
InChIInChI=1S/C17H12N4O4S/c18-15(23)10-5-6-26-16(10)20-12(22)7-21-8-19-13-9-3-1-2-4-11(9)25-14(13)17(21)24/h1-6,8H,7H2,(H2,18,23)(H,20,22)
InChIKeySCPOSFKVJDRSLZ-UHFFFAOYSA-N
XLogP1.94
TPSA120.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]thiophene-3-carboxamide with MolForge

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 51250651
N-naphthalen-1-yl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808260
N-(2-bromophenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 7802170
N-(2-chlorophenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 7802162
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 55527065
N-(2-amino-2-ethylbutyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 119642367
3-methyl-N-[4-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]phenyl]butanamide
CID 34597443
N-(1,3-ditert-butylpyrazol-5-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 60581357
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 38966786
N-[4-(azepan-1-yl)phenyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 26817386
N-(4-iodo-2-methylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808279
N-cyclopentyl-2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 28542618

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]thiophene-3-carboxamide (CID 17423737) is 2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O.
What is the InChIKey of 2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is SCPOSFKVJDRSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O4S/c18-15(23)10-5-6-26-16(10)20-12(22)7-21-8-19-13-9-3-1-2-4-11(9)25-14(13)17(21)24/h1-6,8H,7H2,(H2,18,23)(H,20,22).
What are the key properties of 2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]thiophene-3-carboxamide?
2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]thiophene-3-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 17423737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).