5-ethyl-4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiophene-2-carboxamide

C17H20N2O2S — CID 9396453

IUPAC5-ethyl-4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiophene-2-carboxamide
SMILESCCc1sc(C(=O)N/N=C\c2ccc([C@H]3C[C@@H]3C)o2)cc1C
InChIInChI=1S/C17H20N2O2S/c1-4-15-11(3)8-16(22-15)17(20)19-18-9-12-5-6-14(21-12)13-7-10(13)2/h5-6,8-10,13H,4,7H2,1-3H3,(H,19,20)/b18-9-/t10-,13-/m0/s1
InChIKeyGTXZISBFJRLJOU-VUQIBBBHSA-N
MW316.43 g/mol
LogP4.10
Rot. Bonds5

About 5-ethyl-4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiophene-2-carboxamide

5-ethyl-4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiophene-2-carboxamide (PubChem CID 9396453) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiophene-2-carboxamide
PubChem CID9396453
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name5-ethyl-4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiophene-2-carboxamide
SMILESCCc1sc(C(=O)N/N=C\c2ccc([C@H]3C[C@@H]3C)o2)cc1C
InChIInChI=1S/C17H20N2O2S/c1-4-15-11(3)8-16(22-15)17(20)19-18-9-12-5-6-14(21-12)13-7-10(13)2/h5-6,8-10,13H,4,7H2,1-3H3,(H,19,20)/b18-9-/t10-,13-/m0/s1
InChIKeyGTXZISBFJRLJOU-VUQIBBBHSA-N
XLogP4.10
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-ethyl-4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiophene-2-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

5-ethyl-4-methyl-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiophene-2-carboxamide
CID 9396442
4-fluoro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9390659
4-hydroxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9391276
1-ethyl-3-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiourea
CID 9392217
4-ethoxy-3-methoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9396092
3,4-dimethoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9391704
2-(3,4-dimethylphenoxy)-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide
CID 9393088
tert-butyl N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]carbamate
CID 9391101
N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 9390561
4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 9394841
N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 9396397
4-amino-3,5,6-trichloro-N-[(E)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridin-1-ium-2-carboxamide
CID 135590406

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiophene-2-carboxamide?
The IUPAC name of 5-ethyl-4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiophene-2-carboxamide (CID 9396453) is 5-ethyl-4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiophene-2-carboxamide is CCc1sc(C(=O)N/N=C\c2ccc([C@H]3C[C@@H]3C)o2)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiophene-2-carboxamide?
The InChIKey is GTXZISBFJRLJOU-VUQIBBBHSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-4-15-11(3)8-16(22-15)17(20)19-18-9-12-5-6-14(21-12)13-7-10(13)2/h5-6,8-10,13H,4,7H2,1-3H3,(H,19,20)/b18-9-/t10-,13-/m0/s1.
What are the key properties of 5-ethyl-4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiophene-2-carboxamide?
5-ethyl-4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiophene-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 9396453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).