3-amino-5-(hexylamino)-4-propan-2-yloxythiophene-2-carboxamide

C14H25N3O2S — CID 103420117

IUPAC3-amino-5-(hexylamino)-4-propan-2-yloxythiophene-2-carboxamide
SMILESCCCCCCNc1sc(C(N)=O)c(N)c1OC(C)C
InChIInChI=1S/C14H25N3O2S/c1-4-5-6-7-8-17-14-11(19-9(2)3)10(15)12(20-14)13(16)18/h9,17H,4-8,15H2,1-3H3,(H2,16,18)
InChIKeyIKPGNEXGRLMQAT-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.21
Rot. Bonds9

About 3-amino-5-(hexylamino)-4-propan-2-yloxythiophene-2-carboxamide

3-amino-5-(hexylamino)-4-propan-2-yloxythiophene-2-carboxamide (PubChem CID 103420117) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 3-amino-5-(hexylamino)-4-propan-2-yloxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(hexylamino)-4-propan-2-yloxythiophene-2-carboxamide
PubChem CID103420117
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name3-amino-5-(hexylamino)-4-propan-2-yloxythiophene-2-carboxamide
SMILESCCCCCCNc1sc(C(N)=O)c(N)c1OC(C)C
InChIInChI=1S/C14H25N3O2S/c1-4-5-6-7-8-17-14-11(19-9(2)3)10(15)12(20-14)13(16)18/h9,17H,4-8,15H2,1-3H3,(H2,16,18)
InChIKeyIKPGNEXGRLMQAT-UHFFFAOYSA-N
XLogP3.21
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.21
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

3-amino-5-(3-methoxypropylamino)-4-propan-2-yloxythiophene-2-carboxamide
CID 103427050
methyl 3-amino-5-(butylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103425198
3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103425282
3-amino-5-(hexylamino)-4-methylsulfonylthiophene-2-carboxamide
CID 103420091
methyl 3-amino-4-carbamoyl-5-(hexylamino)thiophene-2-carboxylate
CID 103420099
3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide
CID 103423115
3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423425
1-[3-amino-5-(3-methylbutylamino)-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103425581
3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423850
3-amino-4-propan-2-yloxy-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide
CID 103434587
3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide
CID 103425232
3-amino-5-[2-(dimethylamino)ethylamino]-N,N-dimethyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103424329

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(hexylamino)-4-propan-2-yloxythiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(hexylamino)-4-propan-2-yloxythiophene-2-carboxamide (CID 103420117) is 3-amino-5-(hexylamino)-4-propan-2-yloxythiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(hexylamino)-4-propan-2-yloxythiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(hexylamino)-4-propan-2-yloxythiophene-2-carboxamide is CCCCCCNc1sc(C(N)=O)c(N)c1OC(C)C.
What is the InChIKey of 3-amino-5-(hexylamino)-4-propan-2-yloxythiophene-2-carboxamide?
The InChIKey is IKPGNEXGRLMQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-4-5-6-7-8-17-14-11(19-9(2)3)10(15)12(20-14)13(16)18/h9,17H,4-8,15H2,1-3H3,(H2,16,18).
What are the key properties of 3-amino-5-(hexylamino)-4-propan-2-yloxythiophene-2-carboxamide?
3-amino-5-(hexylamino)-4-propan-2-yloxythiophene-2-carboxamide has a molecular weight of 299.44 g/mol, XLogP of 3.21, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(hexylamino)-4-propan-2-yloxythiophene-2-carboxamide is sourced from PubChem (CID 103420117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).