5-acetyl-4-amino-N-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)thiophene-3-carboxamide

C15H23N3O2S — CID 103506286

IUPAC5-acetyl-4-amino-N-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)thiophene-3-carboxamide
SMILESCNC(=O)c1c(N2CCC(C(C)C)C2)sc(C(C)=O)c1N
InChIInChI=1S/C15H23N3O2S/c1-8(2)10-5-6-18(7-10)15-11(14(20)17-4)12(16)13(21-15)9(3)19/h8,10H,5-7,16H2,1-4H3,(H,17,20)
InChIKeyCYBLTSKBQTUYNT-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.37
Rot. Bonds4

About 5-acetyl-4-amino-N-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)thiophene-3-carboxamide

5-acetyl-4-amino-N-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)thiophene-3-carboxamide (PubChem CID 103506286) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 5-acetyl-4-amino-N-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-4-amino-N-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)thiophene-3-carboxamide
PubChem CID103506286
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name5-acetyl-4-amino-N-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)thiophene-3-carboxamide
SMILESCNC(=O)c1c(N2CCC(C(C)C)C2)sc(C(C)=O)c1N
InChIInChI=1S/C15H23N3O2S/c1-8(2)10-5-6-18(7-10)15-11(14(20)17-4)12(16)13(21-15)9(3)19/h8,10H,5-7,16H2,1-4H3,(H,17,20)
InChIKeyCYBLTSKBQTUYNT-UHFFFAOYSA-N
XLogP2.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide
CID 103506307
5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)-N-methylthiophene-3-carboxamide
CID 103508944
3-amino-2-N,2-N,4-N-trimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide
CID 103509806
methyl 3-amino-4-(methylcarbamoyl)-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103509689
methyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103506297
3-amino-5-(4-propan-2-ylpiperidin-1-yl)thiophene-2,4-dicarboxamide
CID 103526786
3-amino-5-(3-aminopyrrolidin-1-yl)-2-N-methylthiophene-2,4-dicarboxamide
CID 103525709
3-amino-4-cyano-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxamide
CID 103506254
methyl 5-acetyl-4-amino-2-(3,4-dimethylpiperidin-1-yl)thiophene-3-carboxylate
CID 103507212
methyl 5-acetyl-4-amino-2-(3-hydroxypyrrolidin-1-yl)thiophene-3-carboxylate
CID 103421580
4-amino-5-(cyclopropanecarbonyl)-N-methyl-2-piperidin-1-ylthiophene-3-carboxamide
CID 103419846
3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide
CID 103422098

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-amino-N-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)thiophene-3-carboxamide?
The IUPAC name of 5-acetyl-4-amino-N-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)thiophene-3-carboxamide (CID 103506286) is 5-acetyl-4-amino-N-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-4-amino-N-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-4-amino-N-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)thiophene-3-carboxamide is CNC(=O)c1c(N2CCC(C(C)C)C2)sc(C(C)=O)c1N.
What is the InChIKey of 5-acetyl-4-amino-N-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)thiophene-3-carboxamide?
The InChIKey is CYBLTSKBQTUYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-8(2)10-5-6-18(7-10)15-11(14(20)17-4)12(16)13(21-15)9(3)19/h8,10H,5-7,16H2,1-4H3,(H,17,20).
What are the key properties of 5-acetyl-4-amino-N-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)thiophene-3-carboxamide?
5-acetyl-4-amino-N-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)thiophene-3-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-amino-N-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)thiophene-3-carboxamide is sourced from PubChem (CID 103506286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).