2-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid

C16H19FN2O6S — CID 120974368

IUPAC2-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H19FN2O6S/c17-13-4-1-10(18-15(20)11-2-3-12(11)16(21)22)9-14(13)26(23,24)19-5-7-25-8-6-19/h1,4,9,11-12H,2-3,5-8H2,(H,18,20)(H,21,22)
InChIKeyFKIQJQRRVDSGCQ-UHFFFAOYSA-N
MW386.40 g/mol
LogP0.90
Rot. Bonds5

About 2-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid

2-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120974368) has the molecular formula C16H19FN2O6S and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120974368
Molecular FormulaC16H19FN2O6S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC Name2-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H19FN2O6S/c17-13-4-1-10(18-15(20)11-2-3-12(11)16(21)22)9-14(13)26(23,24)19-5-7-25-8-6-19/h1,4,9,11-12H,2-3,5-8H2,(H,18,20)(H,21,22)
InChIKeyFKIQJQRRVDSGCQ-UHFFFAOYSA-N
XLogP0.90
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119265800
2-[(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974405
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119265799
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)morpholine-2-carboxamide
CID 119679004
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119265798
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 51154323
4-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoylamino]butanoic acid
CID 122076915
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 98599209
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42908243
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55605523
2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55341430
1-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 119265809

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid (CID 120974368) is 2-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is FKIQJQRRVDSGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O6S/c17-13-4-1-10(18-15(20)11-2-3-12(11)16(21)22)9-14(13)26(23,24)19-5-7-25-8-6-19/h1,4,9,11-12H,2-3,5-8H2,(H,18,20)(H,21,22).
What are the key properties of 2-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid?
2-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 386.40 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120974368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).