1-[(2-ethylsulfonylbenzoyl)amino]cyclobutane-1-carboxylic acid

C14H17NO5S — CID 81163710

IUPAC1-[(2-ethylsulfonylbenzoyl)amino]cyclobutane-1-carboxylic acid
SMILESCCS(=O)(=O)c1ccccc1C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C14H17NO5S/c1-2-21(19,20)11-7-4-3-6-10(11)12(16)15-14(13(17)18)8-5-9-14/h3-4,6-7H,2,5,8-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyUDGVEZCAOKKQKH-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.22
Rot. Bonds5

About 1-[(2-ethylsulfonylbenzoyl)amino]cyclobutane-1-carboxylic acid

1-[(2-ethylsulfonylbenzoyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81163710) has the molecular formula C14H17NO5S and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-[(2-ethylsulfonylbenzoyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-ethylsulfonylbenzoyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81163710
Molecular FormulaC14H17NO5S
Molecular Weight311.36 g/mol
Exact Mass311.08
IUPAC Name1-[(2-ethylsulfonylbenzoyl)amino]cyclobutane-1-carboxylic acid
SMILESCCS(=O)(=O)c1ccccc1C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C14H17NO5S/c1-2-21(19,20)11-7-4-3-6-10(11)12(16)15-14(13(17)18)8-5-9-14/h3-4,6-7H,2,5,8-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyUDGVEZCAOKKQKH-UHFFFAOYSA-N
XLogP1.22
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 81164243
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1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341683
N-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide
CID 119629127
(2S)-3-[(2-ethylsulfonylbenzoyl)amino]-2-hydroxypropanoic acid
CID 107832831
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CID 54991408
1-[[2-(difluoromethoxy)benzoyl]amino]cyclobutane-1-carboxylic acid
CID 81158711
(2S,3R)-2-[(2-ethylsulfonylbenzoyl)amino]-3-hydroxybutanoic acid
CID 104965009
1-[[2-(3-ethylsulfonylphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 120531000
1-(2-ethylsulfonylphenyl)ethanone
CID 118020273
2-ethylsulfonyl-N-(2-hydroxy-2-methylpentyl)benzamide
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CID 115700538

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylsulfonylbenzoyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-ethylsulfonylbenzoyl)amino]cyclobutane-1-carboxylic acid (CID 81163710) is 1-[(2-ethylsulfonylbenzoyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-ethylsulfonylbenzoyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-ethylsulfonylbenzoyl)amino]cyclobutane-1-carboxylic acid is CCS(=O)(=O)c1ccccc1C(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(2-ethylsulfonylbenzoyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is UDGVEZCAOKKQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5S/c1-2-21(19,20)11-7-4-3-6-10(11)12(16)15-14(13(17)18)8-5-9-14/h3-4,6-7H,2,5,8-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-[(2-ethylsulfonylbenzoyl)amino]cyclobutane-1-carboxylic acid?
1-[(2-ethylsulfonylbenzoyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 311.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylsulfonylbenzoyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81163710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).