N-[4-[(4-phenyl-3-pyrrol-1-ylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide

C26H19N3O3S — CID 27372856

IUPACN-[4-[(4-phenyl-3-pyrrol-1-ylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)cc1)c1ccco1
InChIInChI=1S/C26H19N3O3S/c30-25(22-9-6-16-32-22)27-19-10-12-20(13-11-19)28-26(31)24-23(29-14-4-5-15-29)21(17-33-24)18-7-2-1-3-8-18/h1-17H,(H,27,30)(H,28,31)
InChIKeyRNMBNUILIDUBOY-UHFFFAOYSA-N
MW453.52 g/mol
LogP6.30
Rot. Bonds6

About N-[4-[(4-phenyl-3-pyrrol-1-ylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide

N-[4-[(4-phenyl-3-pyrrol-1-ylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide (PubChem CID 27372856) has the molecular formula C26H19N3O3S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[4-[(4-phenyl-3-pyrrol-1-ylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-phenyl-3-pyrrol-1-ylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide
PubChem CID27372856
Molecular FormulaC26H19N3O3S
Molecular Weight453.52 g/mol
Exact Mass453.11
IUPAC NameN-[4-[(4-phenyl-3-pyrrol-1-ylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)cc1)c1ccco1
InChIInChI=1S/C26H19N3O3S/c30-25(22-9-6-16-32-22)27-19-10-12-20(13-11-19)28-26(31)24-23(29-14-4-5-15-29)21(17-33-24)18-7-2-1-3-8-18/h1-17H,(H,27,30)(H,28,31)
InChIKeyRNMBNUILIDUBOY-UHFFFAOYSA-N
XLogP6.30
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.52
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 53002042
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-[4-[(2,2-diphenylacetyl)amino]phenyl]furan-2-carboxamide
CID 2286846
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]furan-2-carboxamide
CID 923784
N-[4-(furan-2-carbonylamino)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51327615
N-[4-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093493
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
N-(4-phenylthiophen-2-yl)furan-2-carboxamide
CID 699965
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 38205482
N-[4-(9H-fluorene-9-carbonylamino)phenyl]furan-2-carboxamide
CID 4519967

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-phenyl-3-pyrrol-1-ylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(4-phenyl-3-pyrrol-1-ylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide (CID 27372856) is N-[4-[(4-phenyl-3-pyrrol-1-ylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(4-phenyl-3-pyrrol-1-ylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(4-phenyl-3-pyrrol-1-ylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide is O=C(Nc1ccc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)cc1)c1ccco1.
What is the InChIKey of N-[4-[(4-phenyl-3-pyrrol-1-ylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is RNMBNUILIDUBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O3S/c30-25(22-9-6-16-32-22)27-19-10-12-20(13-11-19)28-26(31)24-23(29-14-4-5-15-29)21(17-33-24)18-7-2-1-3-8-18/h1-17H,(H,27,30)(H,28,31).
What are the key properties of N-[4-[(4-phenyl-3-pyrrol-1-ylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide?
N-[4-[(4-phenyl-3-pyrrol-1-ylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 6.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-phenyl-3-pyrrol-1-ylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 27372856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).