N-[2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]pyridine-3-sulfonamide

C15H17N5O2S2 — CID 133423697

IUPACN-[2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]pyridine-3-sulfonamide
SMILESCCc1nc(NCCNS(=O)(=O)c2cccnc2)c2ccsc2n1
InChIInChI=1S/C15H17N5O2S2/c1-2-13-19-14(12-5-9-23-15(12)20-13)17-7-8-18-24(21,22)11-4-3-6-16-10-11/h3-6,9-10,18H,2,7-8H2,1H3,(H,17,19,20)
InChIKeyBBZYBQRZHQRDBI-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.04
Rot. Bonds7

About N-[2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]pyridine-3-sulfonamide

N-[2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]pyridine-3-sulfonamide (PubChem CID 133423697) has the molecular formula C15H17N5O2S2 and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]pyridine-3-sulfonamide
PubChem CID133423697
Molecular FormulaC15H17N5O2S2
Molecular Weight363.47 g/mol
Exact Mass363.08
IUPAC NameN-[2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]pyridine-3-sulfonamide
SMILESCCc1nc(NCCNS(=O)(=O)c2cccnc2)c2ccsc2n1
InChIInChI=1S/C15H17N5O2S2/c1-2-13-19-14(12-5-9-23-15(12)20-13)17-7-8-18-24(21,22)11-4-3-6-16-10-11/h3-6,9-10,18H,2,7-8H2,1H3,(H,17,19,20)
InChIKeyBBZYBQRZHQRDBI-UHFFFAOYSA-N
XLogP2.04
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 133404764
4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 122058535
N-propylpyridine-3-sulfonamide
CID 43258995
N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]pyridine-3-sulfonamide
CID 133421659
2-ethyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133403928
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133404655
2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403664
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-sulfonamide
CID 133270380
2-ethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133405891
4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 133415292
2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide
CID 133404654
N-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 133316513

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]pyridine-3-sulfonamide (CID 133423697) is N-[2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]pyridine-3-sulfonamide is CCc1nc(NCCNS(=O)(=O)c2cccnc2)c2ccsc2n1.
What is the InChIKey of N-[2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]pyridine-3-sulfonamide?
The InChIKey is BBZYBQRZHQRDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S2/c1-2-13-19-14(12-5-9-23-15(12)20-13)17-7-8-18-24(21,22)11-4-3-6-16-10-11/h3-6,9-10,18H,2,7-8H2,1H3,(H,17,19,20).
What are the key properties of N-[2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]pyridine-3-sulfonamide?
N-[2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]pyridine-3-sulfonamide has a molecular weight of 363.47 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 133423697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).