2-[[4-(propylsulfamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid

C15H20N2O5S — CID 120974955

IUPAC2-[[4-(propylsulfamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)C2CCC2C(=O)O)cc1
InChIInChI=1S/C15H20N2O5S/c1-2-9-16-23(21,22)11-5-3-10(4-6-11)17-14(18)12-7-8-13(12)15(19)20/h3-6,12-13,16H,2,7-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyYKZWOVRCPQJOEN-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.42
Rot. Bonds7

About 2-[[4-(propylsulfamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid

2-[[4-(propylsulfamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120974955) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[[4-(propylsulfamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(propylsulfamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120974955
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name2-[[4-(propylsulfamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)C2CCC2C(=O)O)cc1
InChIInChI=1S/C15H20N2O5S/c1-2-9-16-23(21,22)11-5-3-10(4-6-11)17-14(18)12-7-8-13(12)15(19)20/h3-6,12-13,16H,2,7-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyYKZWOVRCPQJOEN-UHFFFAOYSA-N
XLogP1.42
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-2-methyl-N-[4-(propylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 28846768
N-[4-(propylsulfamoyl)phenyl]oxane-4-carboxamide
CID 134062227
2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 2967476
2-[[4-(phenylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 5165386
cis-(1R,2S)-2-[[4-(cyclohexylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1015007
cis-(1S,2R)-2-[[4-(cyclohexylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 11839068
trans-(1S,2S)-2-[[4-(cyclohexylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 51570846
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2134216
cis-(1S,2R)-2-[(4-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2303628
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
2,2,2-trichloro-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 17320825
2-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 3947885

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(propylsulfamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[4-(propylsulfamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid (CID 120974955) is 2-[[4-(propylsulfamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(propylsulfamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(propylsulfamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid is CCCNS(=O)(=O)c1ccc(NC(=O)C2CCC2C(=O)O)cc1.
What is the InChIKey of 2-[[4-(propylsulfamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is YKZWOVRCPQJOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-2-9-16-23(21,22)11-5-3-10(4-6-11)17-14(18)12-7-8-13(12)15(19)20/h3-6,12-13,16H,2,7-9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[4-(propylsulfamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
2-[[4-(propylsulfamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 340.40 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(propylsulfamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120974955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).