N-[2-hydroxy-3-(thiophene-2-carbonylamino)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide

C17H25N3O3S — CID 14306942

IUPACN-[2-hydroxy-3-(thiophene-2-carbonylamino)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
SMILESCC1(C)C=C(C(=O)NCC(O)CNC(=O)c2cccs2)C(C)(C)N1
InChIInChI=1S/C17H25N3O3S/c1-16(2)8-12(17(3,4)20-16)14(22)18-9-11(21)10-19-15(23)13-6-5-7-24-13/h5-8,11,20-21H,9-10H2,1-4H3,(H,18,22)(H,19,23)
InChIKeyQUCFKUXLCVNPLZ-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.04
Rot. Bonds6

About N-[2-hydroxy-3-(thiophene-2-carbonylamino)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide

N-[2-hydroxy-3-(thiophene-2-carbonylamino)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide (PubChem CID 14306942) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[2-hydroxy-3-(thiophene-2-carbonylamino)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(thiophene-2-carbonylamino)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
PubChem CID14306942
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-[2-hydroxy-3-(thiophene-2-carbonylamino)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
SMILESCC1(C)C=C(C(=O)NCC(O)CNC(=O)c2cccs2)C(C)(C)N1
InChIInChI=1S/C17H25N3O3S/c1-16(2)8-12(17(3,4)20-16)14(22)18-9-11(21)10-19-15(23)13-6-5-7-24-13/h5-8,11,20-21H,9-10H2,1-4H3,(H,18,22)(H,19,23)
InChIKeyQUCFKUXLCVNPLZ-UHFFFAOYSA-N
XLogP1.04
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[2-hydroxy-3-(thiophene-2-carbonylamino)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(thiophene-2-carbonylamino)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-hydroxy-3-(thiophene-2-carbonylamino)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide (CID 14306942) is N-[2-hydroxy-3-(thiophene-2-carbonylamino)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(thiophene-2-carbonylamino)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-(thiophene-2-carbonylamino)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide is CC1(C)C=C(C(=O)NCC(O)CNC(=O)c2cccs2)C(C)(C)N1.
What is the InChIKey of N-[2-hydroxy-3-(thiophene-2-carbonylamino)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide?
The InChIKey is QUCFKUXLCVNPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-16(2)8-12(17(3,4)20-16)14(22)18-9-11(21)10-19-15(23)13-6-5-7-24-13/h5-8,11,20-21H,9-10H2,1-4H3,(H,18,22)(H,19,23).
What are the key properties of N-[2-hydroxy-3-(thiophene-2-carbonylamino)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide?
N-[2-hydroxy-3-(thiophene-2-carbonylamino)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 1.04, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(thiophene-2-carbonylamino)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 14306942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).