N-(5-methyl-1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide

C14H17N3O4S2 — CID 6503239

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cs2)no1
InChIInChI=1S/C14H17N3O4S2/c1-10-7-13(16-21-10)15-14(18)12-8-11(9-22-12)23(19,20)17-5-3-2-4-6-17/h7-9H,2-6H2,1H3,(H,15,16,18)
InChIKeyDYSUXNDHVBZEAN-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.47
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 6503239) has the molecular formula C14H17N3O4S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID6503239
Molecular FormulaC14H17N3O4S2
Molecular Weight355.44 g/mol
Exact Mass355.07
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cs2)no1
InChIInChI=1S/C14H17N3O4S2/c1-10-7-13(16-21-10)15-14(18)12-8-11(9-22-12)23(19,20)17-5-3-2-4-6-17/h7-9H,2-6H2,1H3,(H,15,16,18)
InChIKeyDYSUXNDHVBZEAN-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide (CID 6503239) is N-(5-methyl-1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide is Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cs2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is DYSUXNDHVBZEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S2/c1-10-7-13(16-21-10)15-14(18)12-8-11(9-22-12)23(19,20)17-5-3-2-4-6-17/h7-9H,2-6H2,1H3,(H,15,16,18).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 6503239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).