2-[1-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]cyclobutyl]acetic acid

C19H26N2O5S — CID 119217243

IUPAC2-[1-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]cyclobutyl]acetic acid
SMILESCc1ccc(C(=O)NC2(CC(=O)O)CCC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H26N2O5S/c1-14-6-7-15(18(24)20-19(8-5-9-19)13-17(22)23)12-16(14)27(25,26)21-10-3-2-4-11-21/h6-7,12H,2-5,8-11,13H2,1H3,(H,20,24)(H,22,23)
InChIKeyQIXWKIJWIFURDB-UHFFFAOYSA-N
MW394.49 g/mol
LogP2.30
Rot. Bonds6

About 2-[1-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]cyclobutyl]acetic acid

2-[1-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]cyclobutyl]acetic acid (PubChem CID 119217243) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is 2-[1-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]cyclobutyl]acetic acid
PubChem CID119217243
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name2-[1-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]cyclobutyl]acetic acid
SMILESCc1ccc(C(=O)NC2(CC(=O)O)CCC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H26N2O5S/c1-14-6-7-15(18(24)20-19(8-5-9-19)13-17(22)23)12-16(14)27(25,26)21-10-3-2-4-11-21/h6-7,12H,2-5,8-11,13H2,1H3,(H,20,24)(H,22,23)
InChIKeyQIXWKIJWIFURDB-UHFFFAOYSA-N
XLogP2.30
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 4104639
N-benzyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1379220
N-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 18169006
3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730
N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068516
N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1331917
4-methyl-N-[(2R)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 8923305
4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2057274
N-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8886322
3-(azepan-1-ylsulfonyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 7357086
4-methyl-N-phenylmethoxy-3-piperidin-1-ylsulfonylbenzamide
CID 9227291
N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3319153

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]cyclobutyl]acetic acid (CID 119217243) is 2-[1-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]cyclobutyl]acetic acid is Cc1ccc(C(=O)NC2(CC(=O)O)CCC2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-[1-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]cyclobutyl]acetic acid?
The InChIKey is QIXWKIJWIFURDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-14-6-7-15(18(24)20-19(8-5-9-19)13-17(22)23)12-16(14)27(25,26)21-10-3-2-4-11-21/h6-7,12H,2-5,8-11,13H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 2-[1-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]cyclobutyl]acetic acid?
2-[1-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]cyclobutyl]acetic acid has a molecular weight of 394.49 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119217243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).