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

C17H26ClN3O2S — CID 14306891

IUPAC2,2,5,5-tetramethyl-N-[3-(thiophene-2-carbonylamino)propyl]-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCC1(C)C=C(C(=O)NCCCNC(=O)c2cccs2)C(C)(C)N1.Cl
InChIInChI=1S/C17H25N3O2S.ClH/c1-16(2)11-12(17(3,4)20-16)14(21)18-8-6-9-19-15(22)13-7-5-10-23-13;/h5,7,10-11,20H,6,8-9H2,1-4H3,(H,18,21)(H,19,22);1H
InChIKeyDUJPCDGQTQHWTO-UHFFFAOYSA-N
MW371.93 g/mol
LogP2.49
Rot. Bonds6

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

2,2,5,5-tetramethyl-N-[3-(thiophene-2-carbonylamino)propyl]-1H-pyrrole-3-carboxamide;hydrochloride (PubChem CID 14306891) has the molecular formula C17H26ClN3O2S and a molecular weight of 371.93 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-[3-(thiophene-2-carbonylamino)propyl]-1H-pyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-[3-(thiophene-2-carbonylamino)propyl]-1H-pyrrole-3-carboxamide;hydrochloride
PubChem CID14306891
Molecular FormulaC17H26ClN3O2S
Molecular Weight371.93 g/mol
Exact Mass371.14
IUPAC Name2,2,5,5-tetramethyl-N-[3-(thiophene-2-carbonylamino)propyl]-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCC1(C)C=C(C(=O)NCCCNC(=O)c2cccs2)C(C)(C)N1.Cl
InChIInChI=1S/C17H25N3O2S.ClH/c1-16(2)11-12(17(3,4)20-16)14(21)18-8-6-9-19-15(22)13-7-5-10-23-13;/h5,7,10-11,20H,6,8-9H2,1-4H3,(H,18,21)(H,19,22);1H
InChIKeyDUJPCDGQTQHWTO-UHFFFAOYSA-N
XLogP2.49
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.93
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,2,5,5-tetramethyl-N-[3-(thiophene-2-carbonylamino)propyl]-1H-pyrrole-3-carboxamide;hydrochloride 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 2,2,5,5-tetramethyl-N-[3-(thiophene-2-carbonylamino)propyl]-1H-pyrrole-3-carboxamide;hydrochloride?
The IUPAC name of 2,2,5,5-tetramethyl-N-[3-(thiophene-2-carbonylamino)propyl]-1H-pyrrole-3-carboxamide;hydrochloride (CID 14306891) is 2,2,5,5-tetramethyl-N-[3-(thiophene-2-carbonylamino)propyl]-1H-pyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-[3-(thiophene-2-carbonylamino)propyl]-1H-pyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for 2,2,5,5-tetramethyl-N-[3-(thiophene-2-carbonylamino)propyl]-1H-pyrrole-3-carboxamide;hydrochloride is CC1(C)C=C(C(=O)NCCCNC(=O)c2cccs2)C(C)(C)N1.Cl.
What is the InChIKey of 2,2,5,5-tetramethyl-N-[3-(thiophene-2-carbonylamino)propyl]-1H-pyrrole-3-carboxamide;hydrochloride?
The InChIKey is DUJPCDGQTQHWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S.ClH/c1-16(2)11-12(17(3,4)20-16)14(21)18-8-6-9-19-15(22)13-7-5-10-23-13;/h5,7,10-11,20H,6,8-9H2,1-4H3,(H,18,21)(H,19,22);1H.
What are the key properties of 2,2,5,5-tetramethyl-N-[3-(thiophene-2-carbonylamino)propyl]-1H-pyrrole-3-carboxamide;hydrochloride?
2,2,5,5-tetramethyl-N-[3-(thiophene-2-carbonylamino)propyl]-1H-pyrrole-3-carboxamide;hydrochloride has a molecular weight of 371.93 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-[3-(thiophene-2-carbonylamino)propyl]-1H-pyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 14306891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).