N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclobutanecarboxamide

C19H28N2O4S — CID 7761073

IUPACN-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclobutanecarboxamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCC1
InChIInChI=1S/C19H28N2O4S/c1-14(2)25-18-10-9-16(26(23,24)21-11-4-3-5-12-21)13-17(18)20-19(22)15-7-6-8-15/h9-10,13-15H,3-8,11-12H2,1-2H3,(H,20,22)
InChIKeyRACPHPUNMOLVOY-UHFFFAOYSA-N
MW380.51 g/mol
LogP3.39
Rot. Bonds6

About N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclobutanecarboxamide

N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclobutanecarboxamide (PubChem CID 7761073) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclobutanecarboxamide
PubChem CID7761073
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC NameN-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclobutanecarboxamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCC1
InChIInChI=1S/C19H28N2O4S/c1-14(2)25-18-10-9-16(26(23,24)21-11-4-3-5-12-21)13-17(18)20-19(22)15-7-6-8-15/h9-10,13-15H,3-8,11-12H2,1-2H3,(H,20,22)
InChIKeyRACPHPUNMOLVOY-UHFFFAOYSA-N
XLogP3.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-2-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 26265477
2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 43077603
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 18074440
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopentanecarboxamide
CID 4820427
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylpiperidine-4-carboxamide
CID 99970714
N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide
CID 5110890
5-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide
CID 26265454
5-bromo-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide
CID 26265446
7a-methyl-5-oxo-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 24981802
(3S)-1-(benzenesulfonyl)-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 39499198
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopropanecarboxamide
CID 26354488
[2-oxo-2-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyanilino)ethyl] (E)-but-2-enoate
CID 9080829

Frequently Asked Questions

What is the IUPAC name of N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclobutanecarboxamide?
The IUPAC name of N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclobutanecarboxamide (CID 7761073) is N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclobutanecarboxamide is CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCC1.
What is the InChIKey of N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclobutanecarboxamide?
The InChIKey is RACPHPUNMOLVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-14(2)25-18-10-9-16(26(23,24)21-11-4-3-5-12-21)13-17(18)20-19(22)15-7-6-8-15/h9-10,13-15H,3-8,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclobutanecarboxamide?
N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclobutanecarboxamide has a molecular weight of 380.51 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclobutanecarboxamide is sourced from PubChem (CID 7761073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).