3-amino-N-ethyl-5-[methyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxamide

C14H25N3O2S — CID 103421346

IUPAC3-amino-N-ethyl-5-[methyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxamide
SMILESCCCN(C)c1sc(C(=O)NCC)c(N)c1OC(C)C
InChIInChI=1S/C14H25N3O2S/c1-6-8-17(5)14-11(19-9(3)4)10(15)12(20-14)13(18)16-7-2/h9H,6-8,15H2,1-5H3,(H,16,18)
InChIKeyUGLDQFFJKGSNGS-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.71
Rot. Bonds7

About 3-amino-N-ethyl-5-[methyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxamide

3-amino-N-ethyl-5-[methyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxamide (PubChem CID 103421346) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 3-amino-N-ethyl-5-[methyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-5-[methyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxamide
PubChem CID103421346
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name3-amino-N-ethyl-5-[methyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxamide
SMILESCCCN(C)c1sc(C(=O)NCC)c(N)c1OC(C)C
InChIInChI=1S/C14H25N3O2S/c1-6-8-17(5)14-11(19-9(3)4)10(15)12(20-14)13(18)16-7-2/h9H,6-8,15H2,1-5H3,(H,16,18)
InChIKeyUGLDQFFJKGSNGS-UHFFFAOYSA-N
XLogP2.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-ethyl-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide
CID 103421206
3-amino-5-(diethylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103419241
1-[3-amino-5-[butyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one
CID 103420387
ethyl 4-amino-5-(ethylcarbamoyl)-2-[methyl(propyl)amino]thiophene-3-carboxylate
CID 103421293
3-amino-4-methoxy-5-[methyl(propyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103421284
3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103425282
3-amino-4-methoxy-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide
CID 103417899
methyl 3-amino-5-[ethyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxylate
CID 103421004
3-amino-5-[butyl(methyl)amino]-4-methoxy-N-propylthiophene-2-carboxamide
CID 103420443
3-amino-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide
CID 103421207
ethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carboxylate
CID 103509602
methyl 3-amino-5-(diethylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103419158

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-5-[methyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxamide?
The IUPAC name of 3-amino-N-ethyl-5-[methyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxamide (CID 103421346) is 3-amino-N-ethyl-5-[methyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-5-[methyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-5-[methyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxamide is CCCN(C)c1sc(C(=O)NCC)c(N)c1OC(C)C.
What is the InChIKey of 3-amino-N-ethyl-5-[methyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxamide?
The InChIKey is UGLDQFFJKGSNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-6-8-17(5)14-11(19-9(3)4)10(15)12(20-14)13(18)16-7-2/h9H,6-8,15H2,1-5H3,(H,16,18).
What are the key properties of 3-amino-N-ethyl-5-[methyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxamide?
3-amino-N-ethyl-5-[methyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxamide has a molecular weight of 299.44 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-5-[methyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxamide is sourced from PubChem (CID 103421346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).