1,2,2-trimethyl-3-[(4-sulfamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid

C16H22N2O5S — CID 2878628

IUPAC1,2,2-trimethyl-3-[(4-sulfamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1(C)C
InChIInChI=1S/C16H22N2O5S/c1-15(2)12(8-9-16(15,3)14(20)21)13(19)18-10-4-6-11(7-5-10)24(17,22)23/h4-7,12H,8-9H2,1-3H3,(H,18,19)(H,20,21)(H2,17,22,23)
InChIKeyMZQBWXRMXATBCQ-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.80
Rot. Bonds4

About 1,2,2-trimethyl-3-[(4-sulfamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid

1,2,2-trimethyl-3-[(4-sulfamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 2878628) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is 1,2,2-trimethyl-3-[(4-sulfamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1,2,2-trimethyl-3-[(4-sulfamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID2878628
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name1,2,2-trimethyl-3-[(4-sulfamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1(C)C
InChIInChI=1S/C16H22N2O5S/c1-15(2)12(8-9-16(15,3)14(20)21)13(19)18-10-4-6-11(7-5-10)24(17,22)23/h4-7,12H,8-9H2,1-3H3,(H,18,19)(H,20,21)(H2,17,22,23)
InChIKeyMZQBWXRMXATBCQ-UHFFFAOYSA-N
XLogP1.80
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Cyclopentanecarboxylic acid, 3-(3-fluorophenylcarbamoyl)-1,2,2-trimethyl-
CID 2879284
1,2,2-Trimethyl-3-((phenylamino)carbonyl)cyclopentanecarboxylic acid
CID 98319
1-((4-Acetamidophenyl)sulfonamido)cyclohexane-1-carboxylic acid
CID 788631
3-[(4-Fluorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 3109098
3-({4-[(Acetylamino)sulfonyl]anilino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3679306
3-((4-Sulfamoylphenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3133135
2-Ethyl-4-(4-sulfamoyl-phenylcarbamoyl)-butyric acid
CID 4615453
2-[1-[2-Oxo-2-(3-sulfamoylanilino)ethyl]cyclopentyl]acetic acid
CID 4259054
3-(5,5-dimethyl-2-oxotetrahydrofuran-3-yl)-N-(4-sulfamoylphenyl)propanamide
CID 664559
2-[2-(4-Sulfamoyl-phenylcarbamoyl)-ethyl]-pentanoic acid
CID 2897467
1,2,2-Trimethyl-3-[(2-methylphenyl)carbamoyl]cyclopentanecarboxylic acid
CID 246555
5-Oxo-3-phenyl-5-(4-sulfamoylanilino)pentanoic acid
CID 2812817

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-3-[(4-sulfamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1,2,2-trimethyl-3-[(4-sulfamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 2878628) is 1,2,2-trimethyl-3-[(4-sulfamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1,2,2-trimethyl-3-[(4-sulfamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1,2,2-trimethyl-3-[(4-sulfamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid is CC1(C(=O)O)CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1(C)C.
What is the InChIKey of 1,2,2-trimethyl-3-[(4-sulfamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is MZQBWXRMXATBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-15(2)12(8-9-16(15,3)14(20)21)13(19)18-10-4-6-11(7-5-10)24(17,22)23/h4-7,12H,8-9H2,1-3H3,(H,18,19)(H,20,21)(H2,17,22,23).
What are the key properties of 1,2,2-trimethyl-3-[(4-sulfamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
1,2,2-trimethyl-3-[(4-sulfamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 354.43 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-3-[(4-sulfamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 2878628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).