5-propyl-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-3-carboxamide

C18H26N2OS — CID 98299340

IUPAC5-propyl-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-3-carboxamide
SMILESCCCc1cc(C(=O)N/N=C2/C[C@@H]3CC[C@]2(C)C3(C)C)cs1
InChIInChI=1S/C18H26N2OS/c1-5-6-14-9-12(11-22-14)16(21)20-19-15-10-13-7-8-18(15,4)17(13,2)3/h9,11,13H,5-8,10H2,1-4H3,(H,20,21)/b19-15-/t13-,18-/m0/s1
InChIKeyZNHWQJQPQYULGI-NRBXHDJBSA-N
MW318.49 g/mol
LogP4.63
Rot. Bonds4

About 5-propyl-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-3-carboxamide

5-propyl-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-3-carboxamide (PubChem CID 98299340) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is 5-propyl-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-propyl-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-3-carboxamide
PubChem CID98299340
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC Name5-propyl-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-3-carboxamide
SMILESCCCc1cc(C(=O)N/N=C2/C[C@@H]3CC[C@]2(C)C3(C)C)cs1
InChIInChI=1S/C18H26N2OS/c1-5-6-14-9-12(11-22-14)16(21)20-19-15-10-13-7-8-18(15,4)17(13,2)3/h9,11,13H,5-8,10H2,1-4H3,(H,20,21)/b19-15-/t13-,18-/m0/s1
InChIKeyZNHWQJQPQYULGI-NRBXHDJBSA-N
XLogP4.63
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-propyl-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-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

Related Compounds

N-[(Z)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
CID 7129928
3-bromo-N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
CID 23314749
methyl 4-[[(Z)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]carbamoyl]benzoate
CID 9371298
3-cyano-N-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
CID 9371252
3-nitro-N-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
CID 23327827
4-(1,3-dithiolan-2-yl)-N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
CID 23327983
N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-5-propylthiophene-3-carboxamide
CID 17310858
3-(carbamoylamino)-N-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
CID 23328034
2-hydroxy-N-[(E)-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
CID 25251646
N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide
CID 23327830
7-chloro-N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-1,3-benzodioxole-5-carboxamide
CID 23328047
5-chloro-N-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-2-carboxamide
CID 23327905

Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-3-carboxamide?
The IUPAC name of 5-propyl-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-3-carboxamide (CID 98299340) is 5-propyl-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-propyl-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-propyl-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-3-carboxamide is CCCc1cc(C(=O)N/N=C2/C[C@@H]3CC[C@]2(C)C3(C)C)cs1.
What is the InChIKey of 5-propyl-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-3-carboxamide?
The InChIKey is ZNHWQJQPQYULGI-NRBXHDJBSA-N. The full InChI is InChI=1S/C18H26N2OS/c1-5-6-14-9-12(11-22-14)16(21)20-19-15-10-13-7-8-18(15,4)17(13,2)3/h9,11,13H,5-8,10H2,1-4H3,(H,20,21)/b19-15-/t13-,18-/m0/s1.
What are the key properties of 5-propyl-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-3-carboxamide?
5-propyl-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-3-carboxamide has a molecular weight of 318.49 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-3-carboxamide is sourced from PubChem (CID 98299340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).