2-[1-(1-benzothiophene-2-carbonylamino)cyclopentyl]acetic acid

C16H17NO3S — CID 64673369

IUPAC2-[1-(1-benzothiophene-2-carbonylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc3ccccc3s2)CCCC1
InChIInChI=1S/C16H17NO3S/c18-14(19)10-16(7-3-4-8-16)17-15(20)13-9-11-5-1-2-6-12(11)21-13/h1-2,5-6,9H,3-4,7-8,10H2,(H,17,20)(H,18,19)
InChIKeyDBKYFNRWZKVDSE-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.42
Rot. Bonds4

About 2-[1-(1-benzothiophene-2-carbonylamino)cyclopentyl]acetic acid

2-[1-(1-benzothiophene-2-carbonylamino)cyclopentyl]acetic acid (PubChem CID 64673369) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-[1-(1-benzothiophene-2-carbonylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-benzothiophene-2-carbonylamino)cyclopentyl]acetic acid
PubChem CID64673369
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name2-[1-(1-benzothiophene-2-carbonylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc3ccccc3s2)CCCC1
InChIInChI=1S/C16H17NO3S/c18-14(19)10-16(7-3-4-8-16)17-15(20)13-9-11-5-1-2-6-12(11)21-13/h1-2,5-6,9H,3-4,7-8,10H2,(H,17,20)(H,18,19)
InChIKeyDBKYFNRWZKVDSE-UHFFFAOYSA-N
XLogP3.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexyl]acetic acid
CID 80722552
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1-benzothiophene-2-carboxamide
CID 62525440
2-[4-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 119215417
5-amino-N-[1-(hydroxymethyl)cyclopentyl]-1-benzothiophene-2-carboxamide
CID 62522722
benzene;methyl 2-[[1-(1-benzothiophene-2-carbonylamino)cyclohexanecarbonyl]amino]acetate
CID 143504673
N-(4-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 120567142
phenyl 2-[[1-(1-benzothiophene-2-carbonylamino)cyclohexanecarbonyl]amino]acetate
CID 24738023
2-[1-[(5-bromothiophene-2-carbonyl)amino]cyclobutyl]acetic acid
CID 79846619
2-[[2-(1-benzothiophene-2-carbonylamino)acetyl]amino]acetic acid
CID 43388124
5-(1-benzothiophene-2-carbonylamino)pentanoic acid
CID 62033392
ethane;N-[1-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-benzothiophene-2-carboxamide;methylsulfanylethane
CID 143504615
N-[1-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-benzothiophene-2-carboxamide;methane;methylsulfanylethane
CID 143504790

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzothiophene-2-carbonylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(1-benzothiophene-2-carbonylamino)cyclopentyl]acetic acid (CID 64673369) is 2-[1-(1-benzothiophene-2-carbonylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(1-benzothiophene-2-carbonylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(1-benzothiophene-2-carbonylamino)cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)c2cc3ccccc3s2)CCCC1.
What is the InChIKey of 2-[1-(1-benzothiophene-2-carbonylamino)cyclopentyl]acetic acid?
The InChIKey is DBKYFNRWZKVDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-14(19)10-16(7-3-4-8-16)17-15(20)13-9-11-5-1-2-6-12(11)21-13/h1-2,5-6,9H,3-4,7-8,10H2,(H,17,20)(H,18,19).
What are the key properties of 2-[1-(1-benzothiophene-2-carbonylamino)cyclopentyl]acetic acid?
2-[1-(1-benzothiophene-2-carbonylamino)cyclopentyl]acetic acid has a molecular weight of 303.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzothiophene-2-carbonylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 64673369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).