2-[[(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide

C15H13N3O3S2 — CID 41321505

IUPAC2-[[(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide
SMILESC[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C15H13N3O3S2/c1-8(13(20)18-14-9(12(16)19)6-7-22-14)23-15-17-10-4-2-3-5-11(10)21-15/h2-8H,1H3,(H2,16,19)(H,18,20)/t8-/m1/s1
InChIKeyOUXPFLWTEXDOAU-MRVPVSSYSA-N
MW347.42 g/mol
LogP3.11
Rot. Bonds5

About 2-[[(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide

2-[[(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide (PubChem CID 41321505) has the molecular formula C15H13N3O3S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[[(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide
PubChem CID41321505
Molecular FormulaC15H13N3O3S2
Molecular Weight347.42 g/mol
Exact Mass347.04
IUPAC Name2-[[(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide
SMILESC[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C15H13N3O3S2/c1-8(13(20)18-14-9(12(16)19)6-7-22-14)23-15-17-10-4-2-3-5-11(10)21-15/h2-8H,1H3,(H2,16,19)(H,18,20)/t8-/m1/s1
InChIKeyOUXPFLWTEXDOAU-MRVPVSSYSA-N
XLogP3.11
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[[(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide
CID 9385121
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-iodophenyl)propanamide
CID 23914569
2-[[(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide
CID 8726324
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-naphthalen-1-ylpropanamide
CID 7464840
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpropanamide
CID 9414816
2-[[(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 135588084
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylphenyl)propanamide
CID 18075869
(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 7756270
(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpropanamide
CID 26733168
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoic acid
CID 1132680

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide (CID 41321505) is 2-[[(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide is C[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 2-[[(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide?
The InChIKey is OUXPFLWTEXDOAU-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H13N3O3S2/c1-8(13(20)18-14-9(12(16)19)6-7-22-14)23-15-17-10-4-2-3-5-11(10)21-15/h2-8H,1H3,(H2,16,19)(H,18,20)/t8-/m1/s1.
What are the key properties of 2-[[(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide?
2-[[(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 41321505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).