4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide

C14H17N3O4S2 — CID 6503384

IUPAC4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2csc(C(=O)Nc3ccon3)c2)CC1
InChIInChI=1S/C14H17N3O4S2/c1-10-2-5-17(6-3-10)23(19,20)11-8-12(22-9-11)14(18)15-13-4-7-21-16-13/h4,7-10H,2-3,5-6H2,1H3,(H,15,16,18)
InChIKeyURSYRFYMGPXPHG-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.41
Rot. Bonds4

About 4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide

4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide (PubChem CID 6503384) has the molecular formula C14H17N3O4S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide
PubChem CID6503384
Molecular FormulaC14H17N3O4S2
Molecular Weight355.44 g/mol
Exact Mass355.07
IUPAC Name4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2csc(C(=O)Nc3ccon3)c2)CC1
InChIInChI=1S/C14H17N3O4S2/c1-10-2-5-17(6-3-10)23(19,20)11-8-12(22-9-11)14(18)15-13-4-7-21-16-13/h4,7-10H,2-3,5-6H2,1H3,(H,15,16,18)
InChIKeyURSYRFYMGPXPHG-UHFFFAOYSA-N
XLogP2.41
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-3-isoxazolyl-5-methyl-3-thiophenecarboxamide
CID 1246798
N-(isoxazol-3-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2948212
N-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 42940422
N1-(isoxazol-3-yl)-N2-((1-(thiophen-2-ylmethyl)piperidin-4-yl)methyl)oxalamide
CID 16887357
4-[(diethylamino)sulfonyl]-N-3-isoxazolyl-2-thiophenecarboxamide
CID 6503212
N-3-isoxazolyl-4-(1-pyrrolidinylsulfonyl)-2-thiophenecarboxamide
CID 6503321
4-[(ethylamino)sulfonyl]-N-(5-methyl-3-isoxazolyl)-2-thiophenecarboxamide
CID 6504157
5-ethyl-N-(1,2-oxazol-3-yl)thiophene-3-carboxamide
CID 17217747
N-(1,2-oxazol-3-yl)-5-(propan-2-yl)thiophene-3-carboxamide
CID 17217749
N-(5-methyl-3-isoxazolyl)-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-thiophenecarboxamide
CID 27260606
N-(isoxazol-3-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 52907483
4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 6503728

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide (CID 6503384) is 4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide is CC1CCN(S(=O)(=O)c2csc(C(=O)Nc3ccon3)c2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide?
The InChIKey is URSYRFYMGPXPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S2/c1-10-2-5-17(6-3-10)23(19,20)11-8-12(22-9-11)14(18)15-13-4-7-21-16-13/h4,7-10H,2-3,5-6H2,1H3,(H,15,16,18).
What are the key properties of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide?
4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 6503384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).