4-amino-N-(1-benzothiophen-5-yl)-1-ethylpyrrole-2-carboxamide

C15H15N3OS — CID 65475007

IUPAC4-amino-N-(1-benzothiophen-5-yl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C15H15N3OS/c1-2-18-9-11(16)8-13(18)15(19)17-12-3-4-14-10(7-12)5-6-20-14/h3-9H,2,16H2,1H3,(H,17,19)
InChIKeyVSQIOMXAEIAWMA-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.56
Rot. Bonds3

About 4-amino-N-(1-benzothiophen-5-yl)-1-ethylpyrrole-2-carboxamide

4-amino-N-(1-benzothiophen-5-yl)-1-ethylpyrrole-2-carboxamide (PubChem CID 65475007) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-amino-N-(1-benzothiophen-5-yl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-benzothiophen-5-yl)-1-ethylpyrrole-2-carboxamide
PubChem CID65475007
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-amino-N-(1-benzothiophen-5-yl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C15H15N3OS/c1-2-18-9-11(16)8-13(18)15(19)17-12-3-4-14-10(7-12)5-6-20-14/h3-9H,2,16H2,1H3,(H,17,19)
InChIKeyVSQIOMXAEIAWMA-UHFFFAOYSA-N
XLogP3.56
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide
CID 43642219
4-amino-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
CID 43642862
4-amino-1-ethyl-N-(3-iodophenyl)pyrrole-2-carboxamide
CID 43643246
4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 43642694
methyl 3-[(4-amino-1-ethylpyrrole-2-carbonyl)amino]benzoate
CID 61112066
4-amino-N-(3-ethoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 61103176
N-(1-benzothiophen-5-yl)-4-(ethylamino)benzamide
CID 65450538
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 61103364
N-(1-benzothiophen-5-yl)-4-ethoxybenzamide
CID 23796811
4-amino-N-(3-chloro-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide
CID 107363420
4-amino-1-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 61479453
3-amino-N-(1-benzothiophen-5-yl)-4-bromobenzamide
CID 62057837

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-benzothiophen-5-yl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(1-benzothiophen-5-yl)-1-ethylpyrrole-2-carboxamide (CID 65475007) is 4-amino-N-(1-benzothiophen-5-yl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(1-benzothiophen-5-yl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(1-benzothiophen-5-yl)-1-ethylpyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)Nc1ccc2sccc2c1.
What is the InChIKey of 4-amino-N-(1-benzothiophen-5-yl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is VSQIOMXAEIAWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-18-9-11(16)8-13(18)15(19)17-12-3-4-14-10(7-12)5-6-20-14/h3-9H,2,16H2,1H3,(H,17,19).
What are the key properties of 4-amino-N-(1-benzothiophen-5-yl)-1-ethylpyrrole-2-carboxamide?
4-amino-N-(1-benzothiophen-5-yl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-benzothiophen-5-yl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 65475007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).