N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide

C18H19NO3S — CID 97003504

IUPACN-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
SMILESCc1cc(C(=O)CCC(=O)N[C@H]2COc3ccccc32)c(C)s1
InChIInChI=1S/C18H19NO3S/c1-11-9-14(12(2)23-11)16(20)7-8-18(21)19-15-10-22-17-6-4-3-5-13(15)17/h3-6,9,15H,7-8,10H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyRDCXKWNMHBEMES-HNNXBMFYSA-N
MW329.42 g/mol
LogP3.58
Rot. Bonds5

About N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide

N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide (PubChem CID 97003504) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
PubChem CID97003504
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC NameN-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
SMILESCc1cc(C(=O)CCC(=O)N[C@H]2COc3ccccc32)c(C)s1
InChIInChI=1S/C18H19NO3S/c1-11-9-14(12(2)23-11)16(20)7-8-18(21)19-15-10-22-17-6-4-3-5-13(15)17/h3-6,9,15H,7-8,10H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyRDCXKWNMHBEMES-HNNXBMFYSA-N
XLogP3.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide with MolForge

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Related Compounds

N-cycloheptyl-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 7478580
4-(azepan-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)-4-oxobutanamide
CID 135110920
N-(2,3-dihydro-1-benzofuran-3-yl)-3-thiophen-2-ylpropanamide
CID 110751628
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 97016841
4-(2,5-dimethylthiophen-3-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-oxobutanamide
CID 55440802
N-(2,3-dihydro-1-benzofuran-3-yl)-3-piperidin-1-ylpropanamide
CID 91785327
2-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110751602
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-phenylphenyl)butanamide
CID 7969004
N-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 2529350
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
4-(2,3-dihydro-1-benzofuran-3-ylamino)-2,2-diethyl-4-oxobutanoic acid
CID 62065032
2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 91780001

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
The IUPAC name of N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide (CID 97003504) is N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide.
What is the SMILES notation for N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
The canonical SMILES for N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide is Cc1cc(C(=O)CCC(=O)N[C@H]2COc3ccccc32)c(C)s1.
What is the InChIKey of N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
The InChIKey is RDCXKWNMHBEMES-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-11-9-14(12(2)23-11)16(20)7-8-18(21)19-15-10-22-17-6-4-3-5-13(15)17/h3-6,9,15H,7-8,10H2,1-2H3,(H,19,21)/t15-/m0/s1.
What are the key properties of N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide has a molecular weight of 329.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide is sourced from PubChem (CID 97003504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).