2-[[(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide

C18H14N4O3S2 — CID 9385121

IUPAC2-[[(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide
SMILESC[C@@H](Sc1ncnc2c1oc1ccccc12)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C18H14N4O3S2/c1-9(16(24)22-17-11(15(19)23)6-7-26-17)27-18-14-13(20-8-21-18)10-4-2-3-5-12(10)25-14/h2-9H,1H3,(H2,19,23)(H,22,24)/t9-/m1/s1
InChIKeyLLCSSHSXRSXECW-SECBINFHSA-N
MW398.47 g/mol
LogP3.66
Rot. Bonds5

About 2-[[(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide

2-[[(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide (PubChem CID 9385121) has the molecular formula C18H14N4O3S2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-[[(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide
PubChem CID9385121
Molecular FormulaC18H14N4O3S2
Molecular Weight398.47 g/mol
Exact Mass398.05
IUPAC Name2-[[(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide
SMILESC[C@@H](Sc1ncnc2c1oc1ccccc12)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C18H14N4O3S2/c1-9(16(24)22-17-11(15(19)23)6-7-26-17)27-18-14-13(20-8-21-18)10-4-2-3-5-12(10)25-14/h2-9H,1H3,(H2,19,23)(H,22,24)/t9-/m1/s1
InChIKeyLLCSSHSXRSXECW-SECBINFHSA-N
XLogP3.66
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide with MolForge

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Related Compounds

(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9385128
2-[[(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide
CID 41321505
(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide
CID 9385088
2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]thiophene-3-carboxamide
CID 17423737
(2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 9385083
2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide
CID 78668010
2-[[(2R)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 8557167
2-[[(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 135588084
2-[[(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide
CID 8726324
2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide
CID 18141467
2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]thiophene-3-carboxamide
CID 27971673
2-[[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 8940061

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide (CID 9385121) is 2-[[(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide is C[C@@H](Sc1ncnc2c1oc1ccccc12)C(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 2-[[(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide?
The InChIKey is LLCSSHSXRSXECW-SECBINFHSA-N. The full InChI is InChI=1S/C18H14N4O3S2/c1-9(16(24)22-17-11(15(19)23)6-7-26-17)27-18-14-13(20-8-21-18)10-4-2-3-5-12(10)25-14/h2-9H,1H3,(H2,19,23)(H,22,24)/t9-/m1/s1.
What are the key properties of 2-[[(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide?
2-[[(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 9385121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).