4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrole-2-carboxamide

C15H19N3OS — CID 62840418

IUPAC4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NC1CCCc2sccc21
InChIInChI=1S/C15H19N3OS/c1-2-18-9-10(16)8-13(18)15(19)17-12-4-3-5-14-11(12)6-7-20-14/h6-9,12H,2-5,16H2,1H3,(H,17,19)
InChIKeyVGLZYWHGIOBKOT-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.96
Rot. Bonds3

About 4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrole-2-carboxamide

4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrole-2-carboxamide (PubChem CID 62840418) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrole-2-carboxamide
PubChem CID62840418
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NC1CCCc2sccc21
InChIInChI=1S/C15H19N3OS/c1-2-18-9-10(16)8-13(18)15(19)17-12-4-3-5-14-11(12)6-7-20-14/h6-9,12H,2-5,16H2,1H3,(H,17,19)
InChIKeyVGLZYWHGIOBKOT-UHFFFAOYSA-N
XLogP2.96
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide
CID 65358960
4-amino-3-ethyl-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide
CID 66117601
4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyrrole-2-carboxamide
CID 62840417
5-amino-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62840249
4-amino-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide
CID 65359853
2-amino-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide
CID 62844385
2-amino-6-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62842162
3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62841982
4-amino-1-ethyl-N-(1-ethylpiperidin-4-yl)pyrrole-2-carboxamide
CID 61139100
2-(ethylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62843224
N-[(4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]but-2-ynamide
CID 125142184
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide
CID 64593278

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrole-2-carboxamide (CID 62840418) is 4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)NC1CCCc2sccc21.
What is the InChIKey of 4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrole-2-carboxamide?
The InChIKey is VGLZYWHGIOBKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-18-9-10(16)8-13(18)15(19)17-12-4-3-5-14-11(12)6-7-20-14/h6-9,12H,2-5,16H2,1H3,(H,17,19).
What are the key properties of 4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrole-2-carboxamide?
4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrole-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.96, 3 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-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 62840418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).