(3S)-N-benzyl-N-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide

C21H24N4O4S2 — CID 92895853

IUPAC(3S)-N-benzyl-N-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
SMILESCc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)N(C)Cc4ccccc4)C3)c2)no1
InChIInChI=1S/C21H24N4O4S2/c1-15-22-20(23-29-15)18-11-19(30-14-18)31(27,28)25-10-6-9-17(13-25)21(26)24(2)12-16-7-4-3-5-8-16/h3-5,7-8,11,14,17H,6,9-10,12-13H2,1-2H3/t17-/m0/s1
InChIKeyRMVAGVOWMIWFOZ-KRWDZBQOSA-N
MW460.58 g/mol
LogP3.17
Rot. Bonds6

About (3S)-N-benzyl-N-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide

(3S)-N-benzyl-N-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide (PubChem CID 92895853) has the molecular formula C21H24N4O4S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is (3S)-N-benzyl-N-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-benzyl-N-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
PubChem CID92895853
Molecular FormulaC21H24N4O4S2
Molecular Weight460.58 g/mol
Exact Mass460.12
IUPAC Name(3S)-N-benzyl-N-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
SMILESCc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)N(C)Cc4ccccc4)C3)c2)no1
InChIInChI=1S/C21H24N4O4S2/c1-15-22-20(23-29-15)18-11-19(30-14-18)31(27,28)25-10-6-9-17(13-25)21(26)24(2)12-16-7-4-3-5-8-16/h3-5,7-8,11,14,17H,6,9-10,12-13H2,1-2H3/t17-/m0/s1
InChIKeyRMVAGVOWMIWFOZ-KRWDZBQOSA-N
XLogP3.17
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-N-ethyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895949
(3R)-N-(2-ethylphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895880
(3S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 92895841
(3S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 92882347
(3S)-N-(2-fluorophenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895885
(3R)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 92882338
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 50828919
N-cycloheptyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 46385551
(3S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 92895845
N-[2-(4-chlorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 50828802
(3R)-N-(2-methoxyethyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895946
(3R)-N-(4-chlorophenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895856

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-N-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-benzyl-N-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide (CID 92895853) is (3S)-N-benzyl-N-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-benzyl-N-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-benzyl-N-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide is Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)N(C)Cc4ccccc4)C3)c2)no1.
What is the InChIKey of (3S)-N-benzyl-N-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide?
The InChIKey is RMVAGVOWMIWFOZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24N4O4S2/c1-15-22-20(23-29-15)18-11-19(30-14-18)31(27,28)25-10-6-9-17(13-25)21(26)24(2)12-16-7-4-3-5-8-16/h3-5,7-8,11,14,17H,6,9-10,12-13H2,1-2H3/t17-/m0/s1.
What are the key properties of (3S)-N-benzyl-N-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide?
(3S)-N-benzyl-N-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-N-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 92895853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).