(3S)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-cyclohexylpiperidine-3-carboxamide

C23H32N4O4S2 — CID 93068392

IUPAC(3S)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-cyclohexylpiperidine-3-carboxamide
SMILESCc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCC2)C1
InChIInChI=1S/C23H32N4O4S2/c1-15-20(13-19(32-15)21-25-23(31-26-21)16-7-5-8-16)33(29,30)27-12-6-9-17(14-27)22(28)24-18-10-3-2-4-11-18/h13,16-18H,2-12,14H2,1H3,(H,24,28)/t17-/m0/s1
InChIKeyKHRZIVSRSJDBCH-KRWDZBQOSA-N
MW492.67 g/mol
LogP4.22
Rot. Bonds6

About (3S)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-cyclohexylpiperidine-3-carboxamide

(3S)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-cyclohexylpiperidine-3-carboxamide (PubChem CID 93068392) has the molecular formula C23H32N4O4S2 and a molecular weight of 492.67 g/mol. Its IUPAC name is (3S)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-cyclohexylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-cyclohexylpiperidine-3-carboxamide
PubChem CID93068392
Molecular FormulaC23H32N4O4S2
Molecular Weight492.67 g/mol
Exact Mass492.19
IUPAC Name(3S)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-cyclohexylpiperidine-3-carboxamide
SMILESCc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCC2)C1
InChIInChI=1S/C23H32N4O4S2/c1-15-20(13-19(32-15)21-25-23(31-26-21)16-7-5-8-16)33(29,30)27-12-6-9-17(14-27)22(28)24-18-10-3-2-4-11-18/h13,16-18H,2-12,14H2,1H3,(H,24,28)/t17-/m0/s1
InChIKeyKHRZIVSRSJDBCH-KRWDZBQOSA-N
XLogP4.22
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.67
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53007022
N-cyclopentyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042098
(3R)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxylic acid
CID 92863930
N-cyclopentyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53042448
1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 53042534
azepan-1-yl-[1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidin-3-yl]methanone
CID 53078696
(3R)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 93075695
N-cyclopropyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53007063
1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 53042530
1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 53042476
N-cyclooctyl-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53078597
1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53042184

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-cyclohexylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-cyclohexylpiperidine-3-carboxamide (CID 93068392) is (3S)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-cyclohexylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-cyclohexylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-cyclohexylpiperidine-3-carboxamide is Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCC2)C1.
What is the InChIKey of (3S)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-cyclohexylpiperidine-3-carboxamide?
The InChIKey is KHRZIVSRSJDBCH-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H32N4O4S2/c1-15-20(13-19(32-15)21-25-23(31-26-21)16-7-5-8-16)33(29,30)27-12-6-9-17(14-27)22(28)24-18-10-3-2-4-11-18/h13,16-18H,2-12,14H2,1H3,(H,24,28)/t17-/m0/s1.
What are the key properties of (3S)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-cyclohexylpiperidine-3-carboxamide?
(3S)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-cyclohexylpiperidine-3-carboxamide has a molecular weight of 492.67 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-cyclohexylpiperidine-3-carboxamide is sourced from PubChem (CID 93068392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).