2-[1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]cyclobutyl]acetic acid

C17H22N2O5S — CID 119217146

IUPAC2-[1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]cyclobutyl]acetic acid
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C17H22N2O5S/c1-11-3-6-13(25(23,24)19-12-4-5-12)9-14(11)16(22)18-17(7-2-8-17)10-15(20)21/h3,6,9,12,19H,2,4-5,7-8,10H2,1H3,(H,18,22)(H,20,21)
InChIKeyMQQOOKYTTBGSGY-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.56
Rot. Bonds7

About 2-[1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]cyclobutyl]acetic acid

2-[1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]cyclobutyl]acetic acid (PubChem CID 119217146) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]cyclobutyl]acetic acid
PubChem CID119217146
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC Name2-[1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]cyclobutyl]acetic acid
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C17H22N2O5S/c1-11-3-6-13(25(23,24)19-12-4-5-12)9-14(11)16(22)18-17(7-2-8-17)10-15(20)21/h3,6,9,12,19H,2,4-5,7-8,10H2,1H3,(H,18,22)(H,20,21)
InChIKeyMQQOOKYTTBGSGY-UHFFFAOYSA-N
XLogP1.56
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2-methyl-5-sulfamoylbenzoyl)amino]cyclohexyl]acetic acid
CID 91835801
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
2-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylpentanoic acid
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5-(cyclopropylsulfamoyl)-2-methyl-N-(5-methyl-2-pyridinyl)benzamide
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1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539619
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CID 32934577
5-(cyclohexylsulfamoyl)-2-methyl-N-[(2S)-2-phenylpropyl]benzamide
CID 9301857
5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide
CID 55945412
N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 24613986
N-[cyclopropyl(phenyl)methyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 42890157
N-(1-amino-4-methylpentan-2-yl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119586889
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576695

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]cyclobutyl]acetic acid (CID 119217146) is 2-[1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]cyclobutyl]acetic acid is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]cyclobutyl]acetic acid?
The InChIKey is MQQOOKYTTBGSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-11-3-6-13(25(23,24)19-12-4-5-12)9-14(11)16(22)18-17(7-2-8-17)10-15(20)21/h3,6,9,12,19H,2,4-5,7-8,10H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 2-[1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]cyclobutyl]acetic acid?
2-[1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]cyclobutyl]acetic acid has a molecular weight of 366.44 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119217146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).