N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]thiophene-2-carboxamide

C15H19N3O4S2 — CID 108562023

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(NC(=O)c2cccs2)CC1
InChIInChI=1S/C15H19N3O4S2/c1-10-14(11(2)22-17-10)24(20,21)18-7-5-12(6-8-18)16-15(19)13-4-3-9-23-13/h3-4,9,12H,5-8H2,1-2H3,(H,16,19)
InChIKeyWLVCUTLZRGWEEU-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.94
Rot. Bonds4

About N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]thiophene-2-carboxamide

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 108562023) has the molecular formula C15H19N3O4S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]thiophene-2-carboxamide
PubChem CID108562023
Molecular FormulaC15H19N3O4S2
Molecular Weight369.47 g/mol
Exact Mass369.08
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(NC(=O)c2cccs2)CC1
InChIInChI=1S/C15H19N3O4S2/c1-10-14(11(2)22-17-10)24(20,21)18-7-5-12(6-8-18)16-15(19)13-4-3-9-23-13/h3-4,9,12H,5-8H2,1-2H3,(H,16,19)
InChIKeyWLVCUTLZRGWEEU-UHFFFAOYSA-N
XLogP1.94
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide
CID 110823350
2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-6-fluorobenzamide
CID 108563065
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2,3,4-trifluorobenzamide
CID 108562392
N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
CID 47150062
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 55462849
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 108559543
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
2-cyano-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetamide
CID 108558954
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108560873
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-thiophen-2-yl-1,4-thiazepane 1,1-dioxide
CID 121191681
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-ethylazetidine-1-carboxamide
CID 167767753
tert-butyl N-[2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108558875

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]thiophene-2-carboxamide (CID 108562023) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]thiophene-2-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCC(NC(=O)c2cccs2)CC1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is WLVCUTLZRGWEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S2/c1-10-14(11(2)22-17-10)24(20,21)18-7-5-12(6-8-18)16-15(19)13-4-3-9-23-13/h3-4,9,12H,5-8H2,1-2H3,(H,16,19).
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]thiophene-2-carboxamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 108562023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).