N-[1-(4-acetylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide

C19H18N2O2S — CID 123197018

IUPACN-[1-(4-acetylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(C)NC(=O)c2sccc2-n2cccc2)cc1
InChIInChI=1S/C19H18N2O2S/c1-13(15-5-7-16(8-6-15)14(2)22)20-19(23)18-17(9-12-24-18)21-10-3-4-11-21/h3-13H,1-2H3,(H,20,23)
InChIKeyQZYZKJPGTFPCPG-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.23
Rot. Bonds5

About N-[1-(4-acetylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide

N-[1-(4-acetylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 123197018) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[1-(4-acetylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-acetylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID123197018
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-[1-(4-acetylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(C)NC(=O)c2sccc2-n2cccc2)cc1
InChIInChI=1S/C19H18N2O2S/c1-13(15-5-7-16(8-6-15)14(2)22)20-19(23)18-17(9-12-24-18)21-10-3-4-11-21/h3-13H,1-2H3,(H,20,23)
InChIKeyQZYZKJPGTFPCPG-UHFFFAOYSA-N
XLogP4.23
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 3694864
N-[(2R)-4-phenylbutan-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 31302201
N-(1-hydroxy-4-methylpentan-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 61246350
N-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 65031882
(2R)-4-hydroxy-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid
CID 107822891
N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 55577942
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 32634833
3-bromo-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide
CID 47234202
N-[1-(4-acetylphenyl)ethyl]-2-chlorobenzamide
CID 123643461
methyl 4-[(1S)-1-[[3-(methylamino)thiophene-2-carbonyl]amino]ethyl]benzoate
CID 58125365
2-hydroxy-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 66168126
3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 43354881

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-[1-(4-acetylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide (CID 123197018) is N-[1-(4-acetylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-acetylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-acetylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide is CC(=O)c1ccc(C(C)NC(=O)c2sccc2-n2cccc2)cc1.
What is the InChIKey of N-[1-(4-acetylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is QZYZKJPGTFPCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-13(15-5-7-16(8-6-15)14(2)22)20-19(23)18-17(9-12-24-18)21-10-3-4-11-21/h3-13H,1-2H3,(H,20,23).
What are the key properties of N-[1-(4-acetylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
N-[1-(4-acetylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 123197018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).