4-(1-benzothiophene-2-carbonylamino)-3-methyloxolane-3-carboxylic acid

C15H15NO4S — CID 66254333

IUPAC4-(1-benzothiophene-2-carbonylamino)-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C15H15NO4S/c1-15(14(18)19)8-20-7-12(15)16-13(17)11-6-9-4-2-3-5-10(9)21-11/h2-6,12H,7-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyFSVLOHZJHFFOPF-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.12
Rot. Bonds3

About 4-(1-benzothiophene-2-carbonylamino)-3-methyloxolane-3-carboxylic acid

4-(1-benzothiophene-2-carbonylamino)-3-methyloxolane-3-carboxylic acid (PubChem CID 66254333) has the molecular formula C15H15NO4S and a molecular weight of 305.35 g/mol. Its IUPAC name is 4-(1-benzothiophene-2-carbonylamino)-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(1-benzothiophene-2-carbonylamino)-3-methyloxolane-3-carboxylic acid
PubChem CID66254333
Molecular FormulaC15H15NO4S
Molecular Weight305.35 g/mol
Exact Mass305.07
IUPAC Name4-(1-benzothiophene-2-carbonylamino)-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C15H15NO4S/c1-15(14(18)19)8-20-7-12(15)16-13(17)11-6-9-4-2-3-5-10(9)21-11/h2-6,12H,7-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyFSVLOHZJHFFOPF-UHFFFAOYSA-N
XLogP2.12
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66255664
4-(1H-indole-6-carbonylamino)-3-methyloxolane-3-carboxylic acid
CID 66257202
4-(1H-indole-7-carbonylamino)-3-methyloxolane-3-carboxylic acid
CID 66254894
4-[(4-carbamoylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66256427
4-[(4-amino-3-chlorobenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66249336
N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-benzothiophene-2-carboxamide
CID 133121701
3-methyl-4-(1,3-thiazole-4-carbonylamino)oxolane-3-carboxylic acid
CID 66257204
3-methyl-4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 66256432
4-[(4-bromo-2-chlorobenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66255482
N-(3,5,5-trimethylcyclohex-2-en-1-yl)-1-benzothiophene-2-carboxamide
CID 101152289
4-[(5-fluoropyridine-2-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
CID 104638322
4-[[2-(3-aminophenyl)acetyl]amino]-3-methyloxolane-3-carboxylic acid
CID 66249930

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophene-2-carbonylamino)-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-(1-benzothiophene-2-carbonylamino)-3-methyloxolane-3-carboxylic acid (CID 66254333) is 4-(1-benzothiophene-2-carbonylamino)-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-(1-benzothiophene-2-carbonylamino)-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-(1-benzothiophene-2-carbonylamino)-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)c1cc2ccccc2s1.
What is the InChIKey of 4-(1-benzothiophene-2-carbonylamino)-3-methyloxolane-3-carboxylic acid?
The InChIKey is FSVLOHZJHFFOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-15(14(18)19)8-20-7-12(15)16-13(17)11-6-9-4-2-3-5-10(9)21-11/h2-6,12H,7-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(1-benzothiophene-2-carbonylamino)-3-methyloxolane-3-carboxylic acid?
4-(1-benzothiophene-2-carbonylamino)-3-methyloxolane-3-carboxylic acid has a molecular weight of 305.35 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophene-2-carbonylamino)-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66254333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).