3-amino-N-cyclopropyl-5-(4-propan-2-yloxybutylamino)thiophene-2-carboxamide

C15H25N3O2S — CID 106017402

IUPAC3-amino-N-cyclopropyl-5-(4-propan-2-yloxybutylamino)thiophene-2-carboxamide
SMILESCC(C)OCCCCNc1cc(N)c(C(=O)NC2CC2)s1
InChIInChI=1S/C15H25N3O2S/c1-10(2)20-8-4-3-7-17-13-9-12(16)14(21-13)15(19)18-11-5-6-11/h9-11,17H,3-8,16H2,1-2H3,(H,18,19)
InChIKeyZRMMMWYYCIFRRF-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.84
Rot. Bonds9

About 3-amino-N-cyclopropyl-5-(4-propan-2-yloxybutylamino)thiophene-2-carboxamide

3-amino-N-cyclopropyl-5-(4-propan-2-yloxybutylamino)thiophene-2-carboxamide (PubChem CID 106017402) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-(4-propan-2-yloxybutylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-(4-propan-2-yloxybutylamino)thiophene-2-carboxamide
PubChem CID106017402
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-amino-N-cyclopropyl-5-(4-propan-2-yloxybutylamino)thiophene-2-carboxamide
SMILESCC(C)OCCCCNc1cc(N)c(C(=O)NC2CC2)s1
InChIInChI=1S/C15H25N3O2S/c1-10(2)20-8-4-3-7-17-13-9-12(16)14(21-13)15(19)18-11-5-6-11/h9-11,17H,3-8,16H2,1-2H3,(H,18,19)
InChIKeyZRMMMWYYCIFRRF-UHFFFAOYSA-N
XLogP2.84
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-N-cyclopropyl-5-(4-propan-2-yloxybutylamino)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

3-amino-N-cyclopropyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
CID 103432236
3-amino-N-cyclopropyl-5-(methylamino)thiophene-2-carboxamide
CID 103424255
3-amino-N-cyclopropyl-5-(3-methylbut-2-enylamino)thiophene-2-carboxamide
CID 106199168
3-amino-N-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide
CID 106296562
methyl 3-amino-5-(hexylamino)thiophene-2-carboxylate
CID 103420123
3-amino-N-cyclopropyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
CID 103427442
4-amino-2-(cyclopropylamino)-N-(4-propan-2-yloxybutyl)-1,3-thiazole-5-carboxamide
CID 106015527
1-[3-amino-5-(3-methylbutylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103425678
methyl 3-amino-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-2-carboxylate
CID 106045002
1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one
CID 103423434
3-amino-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505964
2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide
CID 106011307

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-(4-propan-2-yloxybutylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-(4-propan-2-yloxybutylamino)thiophene-2-carboxamide (CID 106017402) is 3-amino-N-cyclopropyl-5-(4-propan-2-yloxybutylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-(4-propan-2-yloxybutylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-(4-propan-2-yloxybutylamino)thiophene-2-carboxamide is CC(C)OCCCCNc1cc(N)c(C(=O)NC2CC2)s1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-(4-propan-2-yloxybutylamino)thiophene-2-carboxamide?
The InChIKey is ZRMMMWYYCIFRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-10(2)20-8-4-3-7-17-13-9-12(16)14(21-13)15(19)18-11-5-6-11/h9-11,17H,3-8,16H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-N-cyclopropyl-5-(4-propan-2-yloxybutylamino)thiophene-2-carboxamide?
3-amino-N-cyclopropyl-5-(4-propan-2-yloxybutylamino)thiophene-2-carboxamide has a molecular weight of 311.45 g/mol, XLogP of 2.84, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-(4-propan-2-yloxybutylamino)thiophene-2-carboxamide is sourced from PubChem (CID 106017402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).