4-(4-methylphenyl)-N-pentyl-3-pyrrol-1-ylthiophene-2-carboxamide

C21H24N2OS — CID 53002123

IUPAC4-(4-methylphenyl)-N-pentyl-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCCCCCNC(=O)c1scc(-c2ccc(C)cc2)c1-n1cccc1
InChIInChI=1S/C21H24N2OS/c1-3-4-5-12-22-21(24)20-19(23-13-6-7-14-23)18(15-25-20)17-10-8-16(2)9-11-17/h6-11,13-15H,3-5,12H2,1-2H3,(H,22,24)
InChIKeyDMHUXHCDAISBSV-UHFFFAOYSA-N
MW352.50 g/mol
LogP5.43
Rot. Bonds7

About 4-(4-methylphenyl)-N-pentyl-3-pyrrol-1-ylthiophene-2-carboxamide

4-(4-methylphenyl)-N-pentyl-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 53002123) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-pentyl-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-pentyl-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID53002123
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC Name4-(4-methylphenyl)-N-pentyl-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCCCCCNC(=O)c1scc(-c2ccc(C)cc2)c1-n1cccc1
InChIInChI=1S/C21H24N2OS/c1-3-4-5-12-22-21(24)20-19(23-13-6-7-14-23)18(15-25-20)17-10-8-16(2)9-11-17/h6-11,13-15H,3-5,12H2,1-2H3,(H,22,24)
InChIKeyDMHUXHCDAISBSV-UHFFFAOYSA-N
XLogP5.43
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.50
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 53002048
N-[2-(methylamino)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 119500045
N-butyl-2,4-diphenylthiophene-3-carboxamide
CID 102375157
3-[methyl-(4-methylphenyl)sulfonylamino]-N-pentylthiophene-2-carboxamide
CID 46391668
N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 32646390
3-N-[(4-methylphenyl)methyl]-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070393
ethyl 2-(heptylamino)-4-(4-methylphenyl)thiophene-3-carboxylate
CID 110826907
N-dodecyl-4-[(4-methylphenyl)diazenyl]benzamide
CID 141482420
2-(3-ethyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-pentylacetamide
CID 8809719
N-[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]ethyl]furan-2-carboxamide
CID 38275560
3-chloro-6-methyl-N-octyl-1-benzothiophene-2-carboxamide
CID 4081322
3-chloro-6-methyl-N-undecyl-1-benzothiophene-2-carboxamide
CID 4207704

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-pentyl-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of 4-(4-methylphenyl)-N-pentyl-3-pyrrol-1-ylthiophene-2-carboxamide (CID 53002123) is 4-(4-methylphenyl)-N-pentyl-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-pentyl-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for 4-(4-methylphenyl)-N-pentyl-3-pyrrol-1-ylthiophene-2-carboxamide is CCCCCNC(=O)c1scc(-c2ccc(C)cc2)c1-n1cccc1.
What is the InChIKey of 4-(4-methylphenyl)-N-pentyl-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is DMHUXHCDAISBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS/c1-3-4-5-12-22-21(24)20-19(23-13-6-7-14-23)18(15-25-20)17-10-8-16(2)9-11-17/h6-11,13-15H,3-5,12H2,1-2H3,(H,22,24).
What are the key properties of 4-(4-methylphenyl)-N-pentyl-3-pyrrol-1-ylthiophene-2-carboxamide?
4-(4-methylphenyl)-N-pentyl-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-pentyl-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 53002123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).