N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-cyclopropylacetamide

C18H18ClNO2S — CID 45232494

IUPACN-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-cyclopropylacetamide
SMILESO=C(CC1CC1)NCC1Cc2cc(-c3ccsc3)cc(Cl)c2O1
InChIInChI=1S/C18H18ClNO2S/c19-16-8-13(12-3-4-23-10-12)6-14-7-15(22-18(14)16)9-20-17(21)5-11-1-2-11/h3-4,6,8,10-11,15H,1-2,5,7,9H2,(H,20,21)
InChIKeyFUBDBQCPJNDXCN-UHFFFAOYSA-N
MW347.87 g/mol
LogP4.29
Rot. Bonds5

About N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-cyclopropylacetamide

N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-cyclopropylacetamide (PubChem CID 45232494) has the molecular formula C18H18ClNO2S and a molecular weight of 347.87 g/mol. Its IUPAC name is N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-cyclopropylacetamide
PubChem CID45232494
Molecular FormulaC18H18ClNO2S
Molecular Weight347.87 g/mol
Exact Mass347.07
IUPAC NameN-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-cyclopropylacetamide
SMILESO=C(CC1CC1)NCC1Cc2cc(-c3ccsc3)cc(Cl)c2O1
InChIInChI=1S/C18H18ClNO2S/c19-16-8-13(12-3-4-23-10-12)6-14-7-15(22-18(14)16)9-20-17(21)5-11-1-2-11/h3-4,6,8,10-11,15H,1-2,5,7,9H2,(H,20,21)
InChIKeyFUBDBQCPJNDXCN-UHFFFAOYSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylsulfanylpropanamide
CID 45241051
N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 45230254
(3S)-N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
CID 42370242
N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-3-carboxamide
CID 45178031
N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
CID 42542174
1-acetyl-N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide
CID 42382849
N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 45242116
(2S)-2-acetamido-N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
CID 45206325
N-[(7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-cyclopentylacetamide
CID 45190040
N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 45170812
(E)-N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-pyridin-3-ylprop-2-enamide
CID 45230024
(E)-N-[(8-chloro-6-thiophen-3-yl-3,4-dihydro-2H-chromen-2-yl)methyl]-3-pyridin-4-ylprop-2-enamide
CID 144636673

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-cyclopropylacetamide?
The IUPAC name of N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-cyclopropylacetamide (CID 45232494) is N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-cyclopropylacetamide.
What is the SMILES notation for N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-cyclopropylacetamide?
The canonical SMILES for N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-cyclopropylacetamide is O=C(CC1CC1)NCC1Cc2cc(-c3ccsc3)cc(Cl)c2O1.
What is the InChIKey of N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-cyclopropylacetamide?
The InChIKey is FUBDBQCPJNDXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2S/c19-16-8-13(12-3-4-23-10-12)6-14-7-15(22-18(14)16)9-20-17(21)5-11-1-2-11/h3-4,6,8,10-11,15H,1-2,5,7,9H2,(H,20,21).
What are the key properties of N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-cyclopropylacetamide?
N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-cyclopropylacetamide has a molecular weight of 347.87 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-cyclopropylacetamide is sourced from PubChem (CID 45232494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).