5-(3-methyl-1,2-oxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide

C14H19N3O3S2 — CID 20936306

IUPAC5-(3-methyl-1,2-oxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NCCN3CCCC3)s2)on1
InChIInChI=1S/C14H19N3O3S2/c1-11-10-12(20-16-11)13-4-5-14(21-13)22(18,19)15-6-9-17-7-2-3-8-17/h4-5,10,15H,2-3,6-9H2,1H3
InChIKeyAFPNEOAMAKCOMQ-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.09
Rot. Bonds6

About 5-(3-methyl-1,2-oxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide

5-(3-methyl-1,2-oxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide (PubChem CID 20936306) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 5-(3-methyl-1,2-oxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(3-methyl-1,2-oxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
PubChem CID20936306
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC Name5-(3-methyl-1,2-oxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NCCN3CCCC3)s2)on1
InChIInChI=1S/C14H19N3O3S2/c1-11-10-12(20-16-11)13-4-5-14(21-13)22(18,19)15-6-9-17-7-2-3-8-17/h4-5,10,15H,2-3,6-9H2,1H3
InChIKeyAFPNEOAMAKCOMQ-UHFFFAOYSA-N
XLogP2.09
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2-oxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(3-methyl-1,2-oxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide (CID 20936306) is 5-(3-methyl-1,2-oxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(3-methyl-1,2-oxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(3-methyl-1,2-oxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide is Cc1cc(-c2ccc(S(=O)(=O)NCCN3CCCC3)s2)on1.
What is the InChIKey of 5-(3-methyl-1,2-oxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide?
The InChIKey is AFPNEOAMAKCOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-11-10-12(20-16-11)13-4-5-14(21-13)22(18,19)15-6-9-17-7-2-3-8-17/h4-5,10,15H,2-3,6-9H2,1H3.
What are the key properties of 5-(3-methyl-1,2-oxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide?
5-(3-methyl-1,2-oxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide has a molecular weight of 341.46 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2-oxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 20936306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).