N-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide

C20H14N2O3S — CID 1232080

IUPACN-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cc2ccccc2o1
InChIInChI=1S/C20H14N2O3S/c23-19(17-11-13-5-1-2-8-16(13)25-17)21-14-6-3-7-15(12-14)22-20(24)18-9-4-10-26-18/h1-12H,(H,21,23)(H,22,24)
InChIKeyMBOHCCGEUMXEBH-UHFFFAOYSA-N
MW362.41 g/mol
LogP5.00
Rot. Bonds4

About N-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide

N-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 1232080) has the molecular formula C20H14N2O3S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
PubChem CID1232080
Molecular FormulaC20H14N2O3S
Molecular Weight362.41 g/mol
Exact Mass362.07
IUPAC NameN-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cc2ccccc2o1
InChIInChI=1S/C20H14N2O3S/c23-19(17-11-13-5-1-2-8-16(13)25-17)21-14-6-3-7-15(12-14)22-20(24)18-9-4-10-26-18/h1-12H,(H,21,23)(H,22,24)
InChIKeyMBOHCCGEUMXEBH-UHFFFAOYSA-N
XLogP5.00
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1016193
N-(3-bromophenyl)-1-benzofuran-2-carboxamide
CID 802478
N-[(thiophene-2-carbonylamino)carbamothioyl]-1-benzofuran-2-carboxamide
CID 3319055
N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1273133
N-[3-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1334806
N-[3-[(3-chlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1136389
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 22775944
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
N-[3-[(2-cyanoacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 168521643
N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55831993
N-(1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
CID 16858046
N-(3-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 24708217

Frequently Asked Questions

What is the IUPAC name of N-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide (CID 1232080) is N-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is MBOHCCGEUMXEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S/c23-19(17-11-13-5-1-2-8-16(13)25-17)21-14-6-3-7-15(12-14)22-20(24)18-9-4-10-26-18/h1-12H,(H,21,23)(H,22,24).
What are the key properties of N-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide?
N-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1232080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).