3-amino-N-ethyl-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide

C14H23N3O2S — CID 103506114

IUPAC3-amino-N-ethyl-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N2CCC(CC)C2)c(OC)c1N
InChIInChI=1S/C14H23N3O2S/c1-4-9-6-7-17(8-9)14-11(19-3)10(15)12(20-14)13(18)16-5-2/h9H,4-8,15H2,1-3H3,(H,16,18)
InChIKeyNBTDEZPCBJIJPS-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.32
Rot. Bonds5

About 3-amino-N-ethyl-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide

3-amino-N-ethyl-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide (PubChem CID 103506114) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-amino-N-ethyl-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
PubChem CID103506114
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-amino-N-ethyl-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N2CCC(CC)C2)c(OC)c1N
InChIInChI=1S/C14H23N3O2S/c1-4-9-6-7-17(8-9)14-11(19-3)10(15)12(20-14)13(18)16-5-2/h9H,4-8,15H2,1-3H3,(H,16,18)
InChIKeyNBTDEZPCBJIJPS-UHFFFAOYSA-N
XLogP2.32
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxylate
CID 103506141
3-amino-5-(4-aminopiperidin-1-yl)-N-ethyl-4-methoxythiophene-2-carboxamide
CID 103525626
3-amino-N-ethyl-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide
CID 103506506
ethyl 3-amino-4-methoxy-5-[3-(methoxymethyl)pyrrolidin-1-yl]thiophene-2-carboxylate
CID 103422661
3-amino-4-methoxy-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103542420
1-[3-amino-5-(4-ethylpiperidin-1-yl)-4-methoxythiophen-2-yl]propan-1-one
CID 103418027
methyl 4-amino-2-(3-aminopyrrolidin-1-yl)-5-(ethylcarbamoyl)thiophene-3-carboxylate
CID 103525739
5-acetyl-4-amino-2-(3-ethylpyrrolidin-1-yl)thiophene-3-carbonitrile
CID 103506125
3-amino-N-ethyl-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide
CID 103421810
3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103525772
methyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103506297
methyl 3-amino-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxylate
CID 103506526

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide?
The IUPAC name of 3-amino-N-ethyl-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide (CID 103506114) is 3-amino-N-ethyl-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide is CCNC(=O)c1sc(N2CCC(CC)C2)c(OC)c1N.
What is the InChIKey of 3-amino-N-ethyl-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide?
The InChIKey is NBTDEZPCBJIJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-4-9-6-7-17(8-9)14-11(19-3)10(15)12(20-14)13(18)16-5-2/h9H,4-8,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-N-ethyl-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide?
3-amino-N-ethyl-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 2.32, 5 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-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 103506114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).