4-amino-N-(2-methylsulfanylphenyl)-1-propylpyrrole-2-carboxamide

C15H19N3OS — CID 61116942

IUPAC4-amino-N-(2-methylsulfanylphenyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)Nc1ccccc1SC
InChIInChI=1S/C15H19N3OS/c1-3-8-18-10-11(16)9-13(18)15(19)17-12-6-4-5-7-14(12)20-2/h4-7,9-10H,3,8,16H2,1-2H3,(H,17,19)
InChIKeyAGCGJGOSTXTHJR-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.45
Rot. Bonds5

About 4-amino-N-(2-methylsulfanylphenyl)-1-propylpyrrole-2-carboxamide

4-amino-N-(2-methylsulfanylphenyl)-1-propylpyrrole-2-carboxamide (PubChem CID 61116942) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-amino-N-(2-methylsulfanylphenyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methylsulfanylphenyl)-1-propylpyrrole-2-carboxamide
PubChem CID61116942
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-amino-N-(2-methylsulfanylphenyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)Nc1ccccc1SC
InChIInChI=1S/C15H19N3OS/c1-3-8-18-10-11(16)9-13(18)15(19)17-12-6-4-5-7-14(12)20-2/h4-7,9-10H,3,8,16H2,1-2H3,(H,17,19)
InChIKeyAGCGJGOSTXTHJR-UHFFFAOYSA-N
XLogP3.45
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide
CID 43642423
4-amino-N-(2,6-difluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43643237
4-amino-1-ethyl-N-(2-sulfamoylphenyl)pyrrole-2-carboxamide
CID 61128385
4-amino-N-(2-ethylsulfanylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61104686
4-amino-N-(4-cyanophenyl)-1-propylpyrrole-2-carboxamide
CID 43642348
4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-propylpyrrole-2-carboxamide
CID 106152436
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 61103364
4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide
CID 43640837
4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 43643225
4-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 79234677
4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 83107929
4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide
CID 61139515

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylsulfanylphenyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-methylsulfanylphenyl)-1-propylpyrrole-2-carboxamide (CID 61116942) is 4-amino-N-(2-methylsulfanylphenyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methylsulfanylphenyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-methylsulfanylphenyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)Nc1ccccc1SC.
What is the InChIKey of 4-amino-N-(2-methylsulfanylphenyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is AGCGJGOSTXTHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-8-18-10-11(16)9-13(18)15(19)17-12-6-4-5-7-14(12)20-2/h4-7,9-10H,3,8,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-N-(2-methylsulfanylphenyl)-1-propylpyrrole-2-carboxamide?
4-amino-N-(2-methylsulfanylphenyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylsulfanylphenyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 61116942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).