N-(1,2-oxazol-3-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

C12H13N3O4S2 — CID 6503321

IUPACN-(1,2-oxazol-3-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(Nc1ccon1)c1cc(S(=O)(=O)N2CCCC2)cs1
InChIInChI=1S/C12H13N3O4S2/c16-12(13-11-3-6-19-14-11)10-7-9(8-20-10)21(17,18)15-4-1-2-5-15/h3,6-8H,1-2,4-5H2,(H,13,14,16)
InChIKeyKGAFIXNWXKHVCV-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.77
Rot. Bonds4

About N-(1,2-oxazol-3-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

N-(1,2-oxazol-3-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 6503321) has the molecular formula C12H13N3O4S2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(1,2-oxazol-3-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID6503321
Molecular FormulaC12H13N3O4S2
Molecular Weight327.39 g/mol
Exact Mass327.03
IUPAC NameN-(1,2-oxazol-3-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(Nc1ccon1)c1cc(S(=O)(=O)N2CCCC2)cs1
InChIInChI=1S/C12H13N3O4S2/c16-12(13-11-3-6-19-14-11)10-7-9(8-20-10)21(17,18)15-4-1-2-5-15/h3,6-8H,1-2,4-5H2,(H,13,14,16)
InChIKeyKGAFIXNWXKHVCV-UHFFFAOYSA-N
XLogP1.77
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(1,2-oxazol-3-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (CID 6503321) is N-(1,2-oxazol-3-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-3-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(1,2-oxazol-3-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is O=C(Nc1ccon1)c1cc(S(=O)(=O)N2CCCC2)cs1.
What is the InChIKey of N-(1,2-oxazol-3-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is KGAFIXNWXKHVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S2/c16-12(13-11-3-6-19-14-11)10-7-9(8-20-10)21(17,18)15-4-1-2-5-15/h3,6-8H,1-2,4-5H2,(H,13,14,16).
What are the key properties of N-(1,2-oxazol-3-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
N-(1,2-oxazol-3-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 6503321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).