2-(1-benzofuran-2-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]propanamide

C20H22N2O2S — CID 136512532

IUPAC2-(1-benzofuran-2-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]propanamide
SMILESCc1csc(C2(NC(=O)C(C)c3cc4ccccc4o3)CCCC2)n1
InChIInChI=1S/C20H22N2O2S/c1-13-12-25-19(21-13)20(9-5-6-10-20)22-18(23)14(2)17-11-15-7-3-4-8-16(15)24-17/h3-4,7-8,11-12,14H,5-6,9-10H2,1-2H3,(H,22,23)
InChIKeyYESHGABWMYXCGK-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.89
Rot. Bonds4

About 2-(1-benzofuran-2-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]propanamide

2-(1-benzofuran-2-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]propanamide (PubChem CID 136512532) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]propanamide.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]propanamide
PubChem CID136512532
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name2-(1-benzofuran-2-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]propanamide
SMILESCc1csc(C2(NC(=O)C(C)c3cc4ccccc4o3)CCCC2)n1
InChIInChI=1S/C20H22N2O2S/c1-13-12-25-19(21-13)20(9-5-6-10-20)22-18(23)14(2)17-11-15-7-3-4-8-16(15)24-17/h3-4,7-8,11-12,14H,5-6,9-10H2,1-2H3,(H,22,23)
InChIKeyYESHGABWMYXCGK-UHFFFAOYSA-N
XLogP4.89
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]propanamide
CID 119874151
4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]benzoic acid
CID 119185190
2-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide
CID 119887402
2-phenylpropan-2-yl (2S)-1-[[(2S)-2-(1-benzofuran-2-yl)propanoyl]amino]-2-methylcyclohexane-1-carboxylate
CID 163424649
2-(1-hydroxycyclohexyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide
CID 111520473
2,6-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]oxane-4-carboxamide
CID 136519707
2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976146
2-(cyclopropylmethylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide;dihydrochloride
CID 119887409
N-(4-aminocyclohexyl)-2-(1-benzofuran-2-yl)propanamide
CID 119476753
4-(2,2-difluoroethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-carboxamide
CID 99821091
2-(1-benzofuran-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120890363
N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119887424

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]propanamide?
The IUPAC name of 2-(1-benzofuran-2-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]propanamide (CID 136512532) is 2-(1-benzofuran-2-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]propanamide.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]propanamide?
The canonical SMILES for 2-(1-benzofuran-2-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]propanamide is Cc1csc(C2(NC(=O)C(C)c3cc4ccccc4o3)CCCC2)n1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]propanamide?
The InChIKey is YESHGABWMYXCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-13-12-25-19(21-13)20(9-5-6-10-20)22-18(23)14(2)17-11-15-7-3-4-8-16(15)24-17/h3-4,7-8,11-12,14H,5-6,9-10H2,1-2H3,(H,22,23).
What are the key properties of 2-(1-benzofuran-2-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]propanamide?
2-(1-benzofuran-2-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]propanamide has a molecular weight of 354.48 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]propanamide is sourced from PubChem (CID 136512532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).