N-(1-ethyl-6-oxopyrimidin-5-yl)-4,5-dimethylthiophene-2-sulfonamide

C12H15N3O3S2 — CID 126833895

IUPACN-(1-ethyl-6-oxopyrimidin-5-yl)-4,5-dimethylthiophene-2-sulfonamide
SMILESCCn1cncc(NS(=O)(=O)c2cc(C)c(C)s2)c1=O
InChIInChI=1S/C12H15N3O3S2/c1-4-15-7-13-6-10(12(15)16)14-20(17,18)11-5-8(2)9(3)19-11/h5-7,14H,4H2,1-3H3
InChIKeyFYQIFEUPMACRMA-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.74
Rot. Bonds4

About N-(1-ethyl-6-oxopyrimidin-5-yl)-4,5-dimethylthiophene-2-sulfonamide

N-(1-ethyl-6-oxopyrimidin-5-yl)-4,5-dimethylthiophene-2-sulfonamide (PubChem CID 126833895) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(1-ethyl-6-oxopyrimidin-5-yl)-4,5-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxopyrimidin-5-yl)-4,5-dimethylthiophene-2-sulfonamide
PubChem CID126833895
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC NameN-(1-ethyl-6-oxopyrimidin-5-yl)-4,5-dimethylthiophene-2-sulfonamide
SMILESCCn1cncc(NS(=O)(=O)c2cc(C)c(C)s2)c1=O
InChIInChI=1S/C12H15N3O3S2/c1-4-15-7-13-6-10(12(15)16)14-20(17,18)11-5-8(2)9(3)19-11/h5-7,14H,4H2,1-3H3
InChIKeyFYQIFEUPMACRMA-UHFFFAOYSA-N
XLogP1.74
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxopyrimidin-5-yl)-4,5-dimethylthiophene-2-sulfonamide?
The IUPAC name of N-(1-ethyl-6-oxopyrimidin-5-yl)-4,5-dimethylthiophene-2-sulfonamide (CID 126833895) is N-(1-ethyl-6-oxopyrimidin-5-yl)-4,5-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(1-ethyl-6-oxopyrimidin-5-yl)-4,5-dimethylthiophene-2-sulfonamide?
The canonical SMILES for N-(1-ethyl-6-oxopyrimidin-5-yl)-4,5-dimethylthiophene-2-sulfonamide is CCn1cncc(NS(=O)(=O)c2cc(C)c(C)s2)c1=O.
What is the InChIKey of N-(1-ethyl-6-oxopyrimidin-5-yl)-4,5-dimethylthiophene-2-sulfonamide?
The InChIKey is FYQIFEUPMACRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-4-15-7-13-6-10(12(15)16)14-20(17,18)11-5-8(2)9(3)19-11/h5-7,14H,4H2,1-3H3.
What are the key properties of N-(1-ethyl-6-oxopyrimidin-5-yl)-4,5-dimethylthiophene-2-sulfonamide?
N-(1-ethyl-6-oxopyrimidin-5-yl)-4,5-dimethylthiophene-2-sulfonamide has a molecular weight of 313.40 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxopyrimidin-5-yl)-4,5-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 126833895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).