3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide

C14H25N3O2S — CID 103425282

IUPAC3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
SMILESCCCCNc1sc(C(=O)NCC)c(N)c1OC(C)C
InChIInChI=1S/C14H25N3O2S/c1-5-7-8-17-14-11(19-9(3)4)10(15)12(20-14)13(18)16-6-2/h9,17H,5-8,15H2,1-4H3,(H,16,18)
InChIKeyIRLWWZCOHUIVQM-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.08
Rot. Bonds8

About 3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide

3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide (PubChem CID 103425282) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
PubChem CID103425282
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
SMILESCCCCNc1sc(C(=O)NCC)c(N)c1OC(C)C
InChIInChI=1S/C14H25N3O2S/c1-5-7-8-17-14-11(19-9(3)4)10(15)12(20-14)13(18)16-6-2/h9,17H,5-8,15H2,1-4H3,(H,16,18)
InChIKeyIRLWWZCOHUIVQM-UHFFFAOYSA-N
XLogP3.08
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-amino-5-(butylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103425198
3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423425
3-amino-5-(hexylamino)-4-propan-2-yloxythiophene-2-carboxamide
CID 103420117
3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423850
3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103505749
3-amino-5-(butylamino)-4-cyano-N-ethylthiophene-2-carboxamide
CID 103425201
3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide
CID 103423115
3-amino-5-(3-methoxypropylamino)-4-propan-2-yloxythiophene-2-carboxamide
CID 103427050
3-amino-5-(diethylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103419241
3-amino-N-ethyl-5-[methyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxamide
CID 103421346
1-[3-amino-5-(3-methylbutylamino)-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103425581
3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423712

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide (CID 103425282) is 3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide is CCCCNc1sc(C(=O)NCC)c(N)c1OC(C)C.
What is the InChIKey of 3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide?
The InChIKey is IRLWWZCOHUIVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-7-8-17-14-11(19-9(3)4)10(15)12(20-14)13(18)16-6-2/h9,17H,5-8,15H2,1-4H3,(H,16,18).
What are the key properties of 3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide?
3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide has a molecular weight of 299.44 g/mol, XLogP of 3.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide is sourced from PubChem (CID 103425282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).