N-[5-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

C20H16N2O4S — CID 31310103

IUPACN-[5-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)s1)c1cc2ccccc2o1
InChIInChI=1S/C20H16N2O4S/c1-12(16-11-13-5-2-3-6-14(13)26-16)21-20(24)17-8-9-18(27-17)22-19(23)15-7-4-10-25-15/h2-12H,1H3,(H,21,24)(H,22,23)/t12-/m1/s1
InChIKeySRJSMKJDVKYTQX-GFCCVEGCSA-N
MW380.43 g/mol
LogP4.83
Rot. Bonds5

About N-[5-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 31310103) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[5-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID31310103
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC NameN-[5-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)s1)c1cc2ccccc2o1
InChIInChI=1S/C20H16N2O4S/c1-12(16-11-13-5-2-3-6-14(13)26-16)21-20(24)17-8-9-18(27-17)22-19(23)15-7-4-10-25-15/h2-12H,1H3,(H,21,24)(H,22,23)/t12-/m1/s1
InChIKeySRJSMKJDVKYTQX-GFCCVEGCSA-N
XLogP4.83
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide
CID 41095457
N-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9368629
N-[5-[1-(2-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51330570
N-[5-[1-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46512347
N-[5-[1-(3-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51330571
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[5-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46420472
N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-2-chlorophenyl]furan-2-carboxamide
CID 60545712
N-[5-[1-(1-adamantyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 17468523
N-[1-(1-benzofuran-2-yl)ethyl]-4,5-dibromothiophene-2-carboxamide
CID 78911568
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9367006

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 31310103) is N-[5-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is C[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)s1)c1cc2ccccc2o1.
What is the InChIKey of N-[5-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is SRJSMKJDVKYTQX-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H16N2O4S/c1-12(16-11-13-5-2-3-6-14(13)26-16)21-20(24)17-8-9-18(27-17)22-19(23)15-7-4-10-25-15/h2-12H,1H3,(H,21,24)(H,22,23)/t12-/m1/s1.
What are the key properties of N-[5-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 31310103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).