[3-amino-5-(2-ethoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone

C15H24N2O3S — CID 103428631

IUPAC[3-amino-5-(2-ethoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
SMILESCCOCCNc1sc(C(=O)C2CC2)c(N)c1OC(C)C
InChIInChI=1S/C15H24N2O3S/c1-4-19-8-7-17-15-13(20-9(2)3)11(16)14(21-15)12(18)10-5-6-10/h9-10,17H,4-8,16H2,1-3H3
InChIKeyDEFQUEBDUUPIOT-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.16
Rot. Bonds9

About [3-amino-5-(2-ethoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone

[3-amino-5-(2-ethoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone (PubChem CID 103428631) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is [3-amino-5-(2-ethoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-(2-ethoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
PubChem CID103428631
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name[3-amino-5-(2-ethoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
SMILESCCOCCNc1sc(C(=O)C2CC2)c(N)c1OC(C)C
InChIInChI=1S/C15H24N2O3S/c1-4-19-8-7-17-15-13(20-9(2)3)11(16)14(21-15)12(18)10-5-6-10/h9-10,17H,4-8,16H2,1-3H3
InChIKeyDEFQUEBDUUPIOT-UHFFFAOYSA-N
XLogP3.16
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
CID 103423405
[3-amino-5-(3-methylbutan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
CID 103426906
[3-amino-4-methoxy-5-(3-methylbutylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103425667
3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide
CID 103423115
[3-amino-4-methoxy-5-(4-methylpentylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103507066
3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423425
methyl 3-amino-5-(butylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103425198
1-[3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one
CID 103424685
1-[3-amino-5-(3-methylbutylamino)-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103425581
3-amino-5-(3-methoxypropylamino)-4-propan-2-yloxythiophene-2-carboxamide
CID 103427050
[3-amino-4-ethylsulfonyl-5-(propylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103423081
3-amino-5-(hexylamino)-4-propan-2-yloxythiophene-2-carboxamide
CID 103420117

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(2-ethoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-(2-ethoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone (CID 103428631) is [3-amino-5-(2-ethoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-(2-ethoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-(2-ethoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone is CCOCCNc1sc(C(=O)C2CC2)c(N)c1OC(C)C.
What is the InChIKey of [3-amino-5-(2-ethoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone?
The InChIKey is DEFQUEBDUUPIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-19-8-7-17-15-13(20-9(2)3)11(16)14(21-15)12(18)10-5-6-10/h9-10,17H,4-8,16H2,1-3H3.
What are the key properties of [3-amino-5-(2-ethoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-(2-ethoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone has a molecular weight of 312.44 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(2-ethoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103428631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).