N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide

C15H13NO3 — CID 41095457

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)c1cc2ccccc2o1
InChIInChI=1S/C15H13NO3/c1-10(16-15(17)13-7-4-8-18-13)14-9-11-5-2-3-6-12(11)19-14/h2-10H,1H3,(H,16,17)/t10-/m0/s1
InChIKeyPEPYMTIRSGDSER-JTQLQIEISA-N
MW255.27 g/mol
LogP3.52
Rot. Bonds3

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide (PubChem CID 41095457) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide
PubChem CID41095457
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)c1cc2ccccc2o1
InChIInChI=1S/C15H13NO3/c1-10(16-15(17)13-7-4-8-18-13)14-9-11-5-2-3-6-12(11)19-14/h2-10H,1H3,(H,16,17)/t10-/m0/s1
InChIKeyPEPYMTIRSGDSER-JTQLQIEISA-N
XLogP3.52
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9368629
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[5-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31310103
N-[1-[1-(1-benzofuran-2-yl)ethyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 46421801
N-[1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 71921726
N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-2-chlorophenyl]furan-2-carboxamide
CID 60545712
N-[1-(1-benzofuran-2-yl)ethyl]-3-(furan-2-yl)propanamide
CID 51206809
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-fluorobenzamide
CID 9367947
methyl 4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]benzoate
CID 9367253
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 9194058
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromopyridine-4-carboxamide
CID 103752003

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide (CID 41095457) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide is C[C@H](NC(=O)c1ccco1)c1cc2ccccc2o1.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide?
The InChIKey is PEPYMTIRSGDSER-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13NO3/c1-10(16-15(17)13-7-4-8-18-13)14-9-11-5-2-3-6-12(11)19-14/h2-10H,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide has a molecular weight of 255.27 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 41095457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).