N-(2-carbamothioylcyclopentyl)-5-methyl-1-benzofuran-2-carboxamide

C16H18N2O2S — CID 62955877

IUPACN-(2-carbamothioylcyclopentyl)-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NC3CCCC3C(N)=S)cc2c1
InChIInChI=1S/C16H18N2O2S/c1-9-5-6-13-10(7-9)8-14(20-13)16(19)18-12-4-2-3-11(12)15(17)21/h5-8,11-12H,2-4H2,1H3,(H2,17,21)(H,18,19)
InChIKeyQUFWRALJJHSONN-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.93
Rot. Bonds3

About N-(2-carbamothioylcyclopentyl)-5-methyl-1-benzofuran-2-carboxamide

N-(2-carbamothioylcyclopentyl)-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 62955877) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(2-carbamothioylcyclopentyl)-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioylcyclopentyl)-5-methyl-1-benzofuran-2-carboxamide
PubChem CID62955877
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-(2-carbamothioylcyclopentyl)-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NC3CCCC3C(N)=S)cc2c1
InChIInChI=1S/C16H18N2O2S/c1-9-5-6-13-10(7-9)8-14(20-13)16(19)18-12-4-2-3-11(12)15(17)21/h5-8,11-12H,2-4H2,1H3,(H2,17,21)(H,18,19)
InChIKeyQUFWRALJJHSONN-UHFFFAOYSA-N
XLogP2.93
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119602924
N-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide
CID 62956749
N-(2-carbamothioylcyclopentyl)-2,5-dimethylbenzamide
CID 62955535
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
5-amino-N-(2-methylcyclopentyl)-1-benzofuran-2-carboxamide
CID 63277574
[2-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 114736859
N-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide
CID 62955876
N-(2-fluorocyclopentyl)-1-benzofuran-2-carboxamide
CID 126857780
N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide
CID 171722189
N-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide
CID 82829545
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1-benzofuran-2-carboxamide
CID 50949241
5-bromo-N-(2-carbamothioylcyclopentyl)-2-hydroxybenzamide
CID 107729610

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylcyclopentyl)-5-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-carbamothioylcyclopentyl)-5-methyl-1-benzofuran-2-carboxamide (CID 62955877) is N-(2-carbamothioylcyclopentyl)-5-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-carbamothioylcyclopentyl)-5-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-carbamothioylcyclopentyl)-5-methyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NC3CCCC3C(N)=S)cc2c1.
What is the InChIKey of N-(2-carbamothioylcyclopentyl)-5-methyl-1-benzofuran-2-carboxamide?
The InChIKey is QUFWRALJJHSONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-9-5-6-13-10(7-9)8-14(20-13)16(19)18-12-4-2-3-11(12)15(17)21/h5-8,11-12H,2-4H2,1H3,(H2,17,21)(H,18,19).
What are the key properties of N-(2-carbamothioylcyclopentyl)-5-methyl-1-benzofuran-2-carboxamide?
N-(2-carbamothioylcyclopentyl)-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylcyclopentyl)-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 62955877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).