N-[4-[(1-benzothiophene-2-carbonylamino)methyl]phenyl]furan-2-carboxamide

C21H16N2O3S — CID 51327730

IUPACN-[4-[(1-benzothiophene-2-carbonylamino)methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CNC(=O)c2cc3ccccc3s2)cc1)c1ccco1
InChIInChI=1S/C21H16N2O3S/c24-20(17-5-3-11-26-17)23-16-9-7-14(8-10-16)13-22-21(25)19-12-15-4-1-2-6-18(15)27-19/h1-12H,13H2,(H,22,25)(H,23,24)
InChIKeyOZZAUTMHYCCKAT-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.68
Rot. Bonds5

About N-[4-[(1-benzothiophene-2-carbonylamino)methyl]phenyl]furan-2-carboxamide

N-[4-[(1-benzothiophene-2-carbonylamino)methyl]phenyl]furan-2-carboxamide (PubChem CID 51327730) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[4-[(1-benzothiophene-2-carbonylamino)methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(1-benzothiophene-2-carbonylamino)methyl]phenyl]furan-2-carboxamide
PubChem CID51327730
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC NameN-[4-[(1-benzothiophene-2-carbonylamino)methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CNC(=O)c2cc3ccccc3s2)cc1)c1ccco1
InChIInChI=1S/C21H16N2O3S/c24-20(17-5-3-11-26-17)23-16-9-7-14(8-10-16)13-22-21(25)19-12-15-4-1-2-6-18(15)27-19/h1-12H,13H2,(H,22,25)(H,23,24)
InChIKeyOZZAUTMHYCCKAT-UHFFFAOYSA-N
XLogP4.68
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide
CID 51327731
N-[4-[[(5-methyl-4-propylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide
CID 24620654
4-[(1-benzothiophene-2-carbonylamino)methyl]benzoic acid
CID 45302589
N-[[3-(chloromethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 114302345
1-(1-benzothiophen-2-yl)-3-(furan-2-yl)propane-1,3-dione
CID 114910186
N-[(4-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 70919647
N-[4-[[(3,5-dinitrobenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42017854
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide
CID 42017934
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 41311876
N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24618603

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-benzothiophene-2-carbonylamino)methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(1-benzothiophene-2-carbonylamino)methyl]phenyl]furan-2-carboxamide (CID 51327730) is N-[4-[(1-benzothiophene-2-carbonylamino)methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(1-benzothiophene-2-carbonylamino)methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(1-benzothiophene-2-carbonylamino)methyl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(CNC(=O)c2cc3ccccc3s2)cc1)c1ccco1.
What is the InChIKey of N-[4-[(1-benzothiophene-2-carbonylamino)methyl]phenyl]furan-2-carboxamide?
The InChIKey is OZZAUTMHYCCKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S/c24-20(17-5-3-11-26-17)23-16-9-7-14(8-10-16)13-22-21(25)19-12-15-4-1-2-6-18(15)27-19/h1-12H,13H2,(H,22,25)(H,23,24).
What are the key properties of N-[4-[(1-benzothiophene-2-carbonylamino)methyl]phenyl]furan-2-carboxamide?
N-[4-[(1-benzothiophene-2-carbonylamino)methyl]phenyl]furan-2-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-benzothiophene-2-carbonylamino)methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 51327730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).