N-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide

C18H16N2O5S — CID 648371

IUPACN-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)c1ccco1
InChIInChI=1S/C18H16N2O5S/c1-23-14-10-12(20-18(22)16-6-4-8-26-16)15(24-2)9-11(14)19-17(21)13-5-3-7-25-13/h3-10H,1-2H3,(H,19,21)(H,20,22)
InChIKeyOJIWQOKZZYAZAV-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.86
Rot. Bonds6

About N-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide

N-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide (PubChem CID 648371) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
PubChem CID648371
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC NameN-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)c1ccco1
InChIInChI=1S/C18H16N2O5S/c1-23-14-10-12(20-18(22)16-6-4-8-26-16)15(24-2)9-11(14)19-17(21)13-5-3-7-25-13/h3-10H,1-2H3,(H,19,21)(H,20,22)
InChIKeyOJIWQOKZZYAZAV-UHFFFAOYSA-N
XLogP3.86
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(thiophene-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 1016196
N-[(1Z)-3-[(2-methoxyphenyl)amino]-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]furan-2-carboxamide
CID 1591814
N-[(1Z)-3-[(4-methoxyphenyl)amino]-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]furan-2-carboxamide
CID 1597340
N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide
CID 6491060
Furan-2-carboxylic acid (2-methoxy-phenyl)-[3-methyl-1-(2-thiophen-2-yl-ethyl)-piperidin-4-yl]-amide
CID 13653772
N-(2,5-Dimethoxyphenyl)-2-furancarboxamide
CID 531896
Furan-2-carboxylic acid [2,5-dimethoxy-4-(4-methoxy-benzenesulfonylamino)-phenyl]-amide
CID 648355
N-[2-methoxy-4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-furancarboxamide
CID 650589
4-(2-Furoylamino)phenyl 2-thiophenecarboxylate
CID 650822
N-{4-[(thiophen-2-ylacetyl)amino]phenyl}furan-2-carboxamide
CID 653038
N-[4-(butanoylamino)-2-methoxyphenyl]furan-2-carboxamide
CID 654343
N-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-2-(3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-thiophen-2-ylmethyl-acetamide
CID 654783

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide (CID 648371) is N-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide is COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
The InChIKey is OJIWQOKZZYAZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-23-14-10-12(20-18(22)16-6-4-8-26-16)15(24-2)9-11(14)19-17(21)13-5-3-7-25-13/h3-10H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
N-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 648371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).