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

C14H25N3O2S — CID 103419241

IUPAC3-amino-5-(diethylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N(CC)CC)c(OC(C)C)c1N
InChIInChI=1S/C14H25N3O2S/c1-6-16-13(18)12-10(15)11(19-9(4)5)14(20-12)17(7-2)8-3/h9H,6-8,15H2,1-5H3,(H,16,18)
InChIKeyUTRDWWBOVVUFAU-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.71
Rot. Bonds7

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

3-amino-5-(diethylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide (PubChem CID 103419241) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 3-amino-5-(diethylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(diethylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
PubChem CID103419241
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name3-amino-5-(diethylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N(CC)CC)c(OC(C)C)c1N
InChIInChI=1S/C14H25N3O2S/c1-6-16-13(18)12-10(15)11(19-9(4)5)14(20-12)17(7-2)8-3/h9H,6-8,15H2,1-5H3,(H,16,18)
InChIKeyUTRDWWBOVVUFAU-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

methyl 3-amino-5-(diethylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103419158
3-amino-N-ethyl-5-[methyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxamide
CID 103421346
3-amino-N-ethyl-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide
CID 103421206
1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103420761
methyl 3-amino-5-[ethyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxylate
CID 103421004
1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one
CID 103420796
1-[3-amino-5-[cyclopropylmethyl(ethyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103422418
3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103425282
3-amino-5-(diethylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide
CID 103419201
3-amino-4-cyclopropyl-N-ethyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxamide
CID 103420839
3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423712
3-amino-2-N-ethyl-5-[ethyl(propyl)amino]-4-N-methylthiophene-2,4-dicarboxamide
CID 103421012

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(diethylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(diethylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide (CID 103419241) is 3-amino-5-(diethylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(diethylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(diethylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide is CCNC(=O)c1sc(N(CC)CC)c(OC(C)C)c1N.
What is the InChIKey of 3-amino-5-(diethylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide?
The InChIKey is UTRDWWBOVVUFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-6-16-13(18)12-10(15)11(19-9(4)5)14(20-12)17(7-2)8-3/h9H,6-8,15H2,1-5H3,(H,16,18).
What are the key properties of 3-amino-5-(diethylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide?
3-amino-5-(diethylamino)-N-ethyl-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-5-(diethylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide is sourced from PubChem (CID 103419241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).