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

C12H15N3OS — CID 43643699

IUPAC4-amino-1-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(N)cn1C)c1cccs1
InChIInChI=1S/C12H15N3OS/c1-8(11-4-3-5-17-11)14-12(16)10-6-9(13)7-15(10)2/h3-8H,13H2,1-2H3,(H,14,16)
InChIKeyINVWZLSQZRGIHE-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.16
Rot. Bonds3

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

4-amino-1-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide (PubChem CID 43643699) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide
PubChem CID43643699
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name4-amino-1-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(N)cn1C)c1cccs1
InChIInChI=1S/C12H15N3OS/c1-8(11-4-3-5-17-11)14-12(16)10-6-9(13)7-15(10)2/h3-8H,13H2,1-2H3,(H,14,16)
InChIKeyINVWZLSQZRGIHE-UHFFFAOYSA-N
XLogP2.16
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(methylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide
CID 94490887
4-amino-1-methyl-N-(1-thiophen-3-ylethyl)pyrrole-2-carboxamide
CID 62841289
2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81407916
4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 81408416
5-amino-2,3-dichloro-N-(1-thiophen-2-ylethyl)benzamide
CID 107183624
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
3-amino-5-methoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 78985127
4-amino-2-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 107207953
2-chloro-N-(1-thiophen-2-ylethyl)benzamide
CID 42907549
4-amino-N-[1-(dimethylamino)propan-2-yl]-1-methylpyrrole-2-carboxamide
CID 82945823
3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 7742328
4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81408321

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide (CID 43643699) is 4-amino-1-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide is CC(NC(=O)c1cc(N)cn1C)c1cccs1.
What is the InChIKey of 4-amino-1-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide?
The InChIKey is INVWZLSQZRGIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8(11-4-3-5-17-11)14-12(16)10-6-9(13)7-15(10)2/h3-8H,13H2,1-2H3,(H,14,16).
What are the key properties of 4-amino-1-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide?
4-amino-1-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 43643699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).