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

C19H18ClNO2S — CID 42542174

IUPACN-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
SMILESO=C(NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1)C1=CCCC1
InChIInChI=1S/C19H18ClNO2S/c20-17-9-14(13-5-6-24-11-13)7-15-8-16(23-18(15)17)10-21-19(22)12-3-1-2-4-12/h3,5-7,9,11,16H,1-2,4,8,10H2,(H,21,22)/t16-/m1/s1
InChIKeyXNQDOVIIRZBMND-MRXNPFEDSA-N
MW359.88 g/mol
LogP4.60
Rot. Bonds4

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

N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide (PubChem CID 42542174) has the molecular formula C19H18ClNO2S and a molecular weight of 359.88 g/mol. Its IUPAC name is N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
PubChem CID42542174
Molecular FormulaC19H18ClNO2S
Molecular Weight359.88 g/mol
Exact Mass359.07
IUPAC NameN-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
SMILESO=C(NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1)C1=CCCC1
InChIInChI=1S/C19H18ClNO2S/c20-17-9-14(13-5-6-24-11-13)7-15-8-16(23-18(15)17)10-21-19(22)12-3-1-2-4-12/h3,5-7,9,11,16H,1-2,4,8,10H2,(H,21,22)/t16-/m1/s1
InChIKeyXNQDOVIIRZBMND-MRXNPFEDSA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 54.60
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]-2-cyclopropylacetamide
CID 45232494
N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 45230254
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
N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylsulfanylpropanamide
CID 45241051
N-[[(2R)-7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
CID 26278009
N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-3-carboxamide
CID 45178031
(3S)-N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
CID 42370242
(2S)-2-acetamido-N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
CID 45206325
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
(E)-N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-pyridin-3-ylprop-2-enamide
CID 45230024
N-[[7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide
CID 45209844

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide?
The IUPAC name of N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide (CID 42542174) is N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide.
What is the SMILES notation for N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide?
The canonical SMILES for N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide is O=C(NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1)C1=CCCC1.
What is the InChIKey of N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide?
The InChIKey is XNQDOVIIRZBMND-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18ClNO2S/c20-17-9-14(13-5-6-24-11-13)7-15-8-16(23-18(15)17)10-21-19(22)12-3-1-2-4-12/h3,5-7,9,11,16H,1-2,4,8,10H2,(H,21,22)/t16-/m1/s1.
What are the key properties of N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide?
N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide has a molecular weight of 359.88 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide is sourced from PubChem (CID 42542174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).