N-ethyl-N-(2-thiophen-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide

C14H16N4O2S2 — CID 146149465

IUPACN-ethyl-N-(2-thiophen-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide
SMILESCCN(CCc1cccs1)S(=O)(=O)c1c[nH]c2ncncc12
InChIInChI=1S/C14H16N4O2S2/c1-2-18(6-5-11-4-3-7-21-11)22(19,20)13-9-16-14-12(13)8-15-10-17-14/h3-4,7-10H,2,5-6H2,1H3,(H,15,16,17)
InChIKeyIXAUKHWLOPUKGV-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.27
Rot. Bonds6

About N-ethyl-N-(2-thiophen-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide

N-ethyl-N-(2-thiophen-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide (PubChem CID 146149465) has the molecular formula C14H16N4O2S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-ethyl-N-(2-thiophen-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-thiophen-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide
PubChem CID146149465
Molecular FormulaC14H16N4O2S2
Molecular Weight336.44 g/mol
Exact Mass336.07
IUPAC NameN-ethyl-N-(2-thiophen-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide
SMILESCCN(CCc1cccs1)S(=O)(=O)c1c[nH]c2ncncc12
InChIInChI=1S/C14H16N4O2S2/c1-2-18(6-5-11-4-3-7-21-11)22(19,20)13-9-16-14-12(13)8-15-10-17-14/h3-4,7-10H,2,5-6H2,1H3,(H,15,16,17)
InChIKeyIXAUKHWLOPUKGV-UHFFFAOYSA-N
XLogP2.27
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-thiophen-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide?
The IUPAC name of N-ethyl-N-(2-thiophen-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide (CID 146149465) is N-ethyl-N-(2-thiophen-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-thiophen-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-thiophen-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide is CCN(CCc1cccs1)S(=O)(=O)c1c[nH]c2ncncc12.
What is the InChIKey of N-ethyl-N-(2-thiophen-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide?
The InChIKey is IXAUKHWLOPUKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S2/c1-2-18(6-5-11-4-3-7-21-11)22(19,20)13-9-16-14-12(13)8-15-10-17-14/h3-4,7-10H,2,5-6H2,1H3,(H,15,16,17).
What are the key properties of N-ethyl-N-(2-thiophen-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide?
N-ethyl-N-(2-thiophen-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide has a molecular weight of 336.44 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-thiophen-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide is sourced from PubChem (CID 146149465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).