4-amino-1-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrole-2-carboxamide

C15H21N3OS — CID 80526910

IUPAC4-amino-1-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCC(C)(C)c1cccs1
InChIInChI=1S/C15H21N3OS/c1-4-18-9-11(16)8-12(18)14(19)17-10-15(2,3)13-6-5-7-20-13/h5-9H,4,10,16H2,1-3H3,(H,17,19)
InChIKeyBLYSDEBOKXYBEY-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.86
Rot. Bonds5

About 4-amino-1-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrole-2-carboxamide

4-amino-1-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrole-2-carboxamide (PubChem CID 80526910) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrole-2-carboxamide
PubChem CID80526910
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name4-amino-1-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCC(C)(C)c1cccs1
InChIInChI=1S/C15H21N3OS/c1-4-18-9-11(16)8-12(18)14(19)17-10-15(2,3)13-6-5-7-20-13/h5-9H,4,10,16H2,1-3H3,(H,17,19)
InChIKeyBLYSDEBOKXYBEY-UHFFFAOYSA-N
XLogP2.86
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-(2-methyl-2-methylsulfanylpropyl)pyrrole-2-carboxamide
CID 113478489
4-amino-1-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrole-2-carboxamide
CID 106249305
4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethylpyrrole-2-carboxamide
CID 43642758
4-amino-2-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
CID 80526929
5-amino-2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 80526889
4-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]benzoic acid
CID 80524374
4-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-1,2,5-oxadiazole-3-carboxamide
CID 80527456
3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 104742615
ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate
CID 78963918
4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 63228692
6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridazine-3-carboxamide
CID 80527740
N-(2-methyl-2-thiophen-2-ylpropyl)-N'-(2,2,2-trifluoroethyl)propanediamide
CID 75451079

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrole-2-carboxamide (CID 80526910) is 4-amino-1-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)NCC(C)(C)c1cccs1.
What is the InChIKey of 4-amino-1-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrole-2-carboxamide?
The InChIKey is BLYSDEBOKXYBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-4-18-9-11(16)8-12(18)14(19)17-10-15(2,3)13-6-5-7-20-13/h5-9H,4,10,16H2,1-3H3,(H,17,19).
What are the key properties of 4-amino-1-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrole-2-carboxamide?
4-amino-1-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrole-2-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 80526910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).