N-[2-(2-hydroxypropylamino)-2-oxoethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

C13H17N3O3S — CID 75767553

IUPACN-[2-(2-hydroxypropylamino)-2-oxoethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCC(O)CNC(=O)CNC(=O)c1cc2sccc2n1C
InChIInChI=1S/C13H17N3O3S/c1-8(17)6-14-12(18)7-15-13(19)10-5-11-9(16(10)2)3-4-20-11/h3-5,8,17H,6-7H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyBLEBAOQBIXCIER-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.47
Rot. Bonds5

About N-[2-(2-hydroxypropylamino)-2-oxoethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

N-[2-(2-hydroxypropylamino)-2-oxoethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 75767553) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)-2-oxoethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)-2-oxoethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID75767553
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-[2-(2-hydroxypropylamino)-2-oxoethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCC(O)CNC(=O)CNC(=O)c1cc2sccc2n1C
InChIInChI=1S/C13H17N3O3S/c1-8(17)6-14-12(18)7-15-13(19)10-5-11-9(16(10)2)3-4-20-11/h3-5,8,17H,6-7H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyBLEBAOQBIXCIER-UHFFFAOYSA-N
XLogP0.47
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)-2-oxoethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)-2-oxoethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 75767553) is N-[2-(2-hydroxypropylamino)-2-oxoethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)-2-oxoethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)-2-oxoethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is CC(O)CNC(=O)CNC(=O)c1cc2sccc2n1C.
What is the InChIKey of N-[2-(2-hydroxypropylamino)-2-oxoethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is BLEBAOQBIXCIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-8(17)6-14-12(18)7-15-13(19)10-5-11-9(16(10)2)3-4-20-11/h3-5,8,17H,6-7H2,1-2H3,(H,14,18)(H,15,19).
What are the key properties of N-[2-(2-hydroxypropylamino)-2-oxoethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
N-[2-(2-hydroxypropylamino)-2-oxoethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)-2-oxoethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 75767553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).