5-[(1-methylsulfonylcyclopentanecarbonyl)amino]-1-benzofuran-2-carboxylic acid

C16H17NO6S — CID 120690901

IUPAC5-[(1-methylsulfonylcyclopentanecarbonyl)amino]-1-benzofuran-2-carboxylic acid
SMILESCS(=O)(=O)C1(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)CCCC1
InChIInChI=1S/C16H17NO6S/c1-24(21,22)16(6-2-3-7-16)15(20)17-11-4-5-12-10(8-11)9-13(23-12)14(18)19/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyFULVPCQVWCZAJZ-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.43
Rot. Bonds4

About 5-[(1-methylsulfonylcyclopentanecarbonyl)amino]-1-benzofuran-2-carboxylic acid

5-[(1-methylsulfonylcyclopentanecarbonyl)amino]-1-benzofuran-2-carboxylic acid (PubChem CID 120690901) has the molecular formula C16H17NO6S and a molecular weight of 351.38 g/mol. Its IUPAC name is 5-[(1-methylsulfonylcyclopentanecarbonyl)amino]-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-methylsulfonylcyclopentanecarbonyl)amino]-1-benzofuran-2-carboxylic acid
PubChem CID120690901
Molecular FormulaC16H17NO6S
Molecular Weight351.38 g/mol
Exact Mass351.08
IUPAC Name5-[(1-methylsulfonylcyclopentanecarbonyl)amino]-1-benzofuran-2-carboxylic acid
SMILESCS(=O)(=O)C1(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)CCCC1
InChIInChI=1S/C16H17NO6S/c1-24(21,22)16(6-2-3-7-16)15(20)17-11-4-5-12-10(8-11)9-13(23-12)14(18)19/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyFULVPCQVWCZAJZ-UHFFFAOYSA-N
XLogP2.43
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[1-(methylcarbamoyl)cyclopropanecarbonyl]amino]-1-benzofuran-2-carboxylic acid
CID 120690748
5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid
CID 71013533
5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid
CID 120690709
5-[(2-pentylsulfonylacetyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690836
5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690697
5-[(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690723
5-[(2-ethoxycyclopropanecarbonyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690724
5-[(2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylic acid
CID 146091403
5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690828
5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690785
5-[2-(1,2,4-triazol-1-yl)propanoylamino]-1-benzofuran-2-carboxylic acid
CID 154780295
5-(propan-2-ylsulfonylmethyl)-1-benzofuran-2-carboxylic acid
CID 65293801

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylsulfonylcyclopentanecarbonyl)amino]-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-[(1-methylsulfonylcyclopentanecarbonyl)amino]-1-benzofuran-2-carboxylic acid (CID 120690901) is 5-[(1-methylsulfonylcyclopentanecarbonyl)amino]-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-[(1-methylsulfonylcyclopentanecarbonyl)amino]-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-[(1-methylsulfonylcyclopentanecarbonyl)amino]-1-benzofuran-2-carboxylic acid is CS(=O)(=O)C1(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)CCCC1.
What is the InChIKey of 5-[(1-methylsulfonylcyclopentanecarbonyl)amino]-1-benzofuran-2-carboxylic acid?
The InChIKey is FULVPCQVWCZAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6S/c1-24(21,22)16(6-2-3-7-16)15(20)17-11-4-5-12-10(8-11)9-13(23-12)14(18)19/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 5-[(1-methylsulfonylcyclopentanecarbonyl)amino]-1-benzofuran-2-carboxylic acid?
5-[(1-methylsulfonylcyclopentanecarbonyl)amino]-1-benzofuran-2-carboxylic acid has a molecular weight of 351.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylsulfonylcyclopentanecarbonyl)amino]-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 120690901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).