2-[3-(4-carbamoylpiperidin-1-yl)sulfonyl-2,4,6-trimethylphenyl]acetic acid

C17H24N2O5S — CID 132972294

IUPAC2-[3-(4-carbamoylpiperidin-1-yl)sulfonyl-2,4,6-trimethylphenyl]acetic acid
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)c1CC(=O)O
InChIInChI=1S/C17H24N2O5S/c1-10-8-11(2)16(12(3)14(10)9-15(20)21)25(23,24)19-6-4-13(5-7-19)17(18)22/h8,13H,4-7,9H2,1-3H3,(H2,18,22)(H,20,21)
InChIKeyGARRDNNMGGEZQL-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.12
Rot. Bonds5

About 2-[3-(4-carbamoylpiperidin-1-yl)sulfonyl-2,4,6-trimethylphenyl]acetic acid

2-[3-(4-carbamoylpiperidin-1-yl)sulfonyl-2,4,6-trimethylphenyl]acetic acid (PubChem CID 132972294) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[3-(4-carbamoylpiperidin-1-yl)sulfonyl-2,4,6-trimethylphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-carbamoylpiperidin-1-yl)sulfonyl-2,4,6-trimethylphenyl]acetic acid
PubChem CID132972294
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name2-[3-(4-carbamoylpiperidin-1-yl)sulfonyl-2,4,6-trimethylphenyl]acetic acid
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)c1CC(=O)O
InChIInChI=1S/C17H24N2O5S/c1-10-8-11(2)16(12(3)14(10)9-15(20)21)25(23,24)19-6-4-13(5-7-19)17(18)22/h8,13H,4-7,9H2,1-3H3,(H2,18,22)(H,20,21)
InChIKeyGARRDNNMGGEZQL-UHFFFAOYSA-N
XLogP1.12
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 6462654
1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide
CID 3559679
1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 29050686
1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 700184
1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 31534108
1-(4-bromo-2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 15944015
1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 79926328
1-(2-ethoxy-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 15944020
1-(2-amino-4,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 43256211
N-(3-aminopropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119405340
1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 110758335
2-[3-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2,4,6-trimethylphenyl]acetic acid
CID 154838703

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-carbamoylpiperidin-1-yl)sulfonyl-2,4,6-trimethylphenyl]acetic acid?
The IUPAC name of 2-[3-(4-carbamoylpiperidin-1-yl)sulfonyl-2,4,6-trimethylphenyl]acetic acid (CID 132972294) is 2-[3-(4-carbamoylpiperidin-1-yl)sulfonyl-2,4,6-trimethylphenyl]acetic acid.
What is the SMILES notation for 2-[3-(4-carbamoylpiperidin-1-yl)sulfonyl-2,4,6-trimethylphenyl]acetic acid?
The canonical SMILES for 2-[3-(4-carbamoylpiperidin-1-yl)sulfonyl-2,4,6-trimethylphenyl]acetic acid is Cc1cc(C)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)c1CC(=O)O.
What is the InChIKey of 2-[3-(4-carbamoylpiperidin-1-yl)sulfonyl-2,4,6-trimethylphenyl]acetic acid?
The InChIKey is GARRDNNMGGEZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-10-8-11(2)16(12(3)14(10)9-15(20)21)25(23,24)19-6-4-13(5-7-19)17(18)22/h8,13H,4-7,9H2,1-3H3,(H2,18,22)(H,20,21).
What are the key properties of 2-[3-(4-carbamoylpiperidin-1-yl)sulfonyl-2,4,6-trimethylphenyl]acetic acid?
2-[3-(4-carbamoylpiperidin-1-yl)sulfonyl-2,4,6-trimethylphenyl]acetic acid has a molecular weight of 368.46 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-carbamoylpiperidin-1-yl)sulfonyl-2,4,6-trimethylphenyl]acetic acid is sourced from PubChem (CID 132972294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).