(2S)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide

C17H17FN4O4S2 — CID 24539092

IUPAC(2S)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide
SMILESCCc1cc2c(=O)n(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)cnc2s1
InChIInChI=1S/C17H17FN4O4S2/c1-3-11-8-12-16(27-11)19-9-22(17(12)24)20-15(23)10(2)21-28(25,26)14-7-5-4-6-13(14)18/h4-10,21H,3H2,1-2H3,(H,20,23)/t10-/m0/s1
InChIKeyYGRHKVATRGVABY-JTQLQIEISA-N
MW424.48 g/mol
LogP1.60
Rot. Bonds6

About (2S)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide

(2S)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide (PubChem CID 24539092) has the molecular formula C17H17FN4O4S2 and a molecular weight of 424.48 g/mol. Its IUPAC name is (2S)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide
PubChem CID24539092
Molecular FormulaC17H17FN4O4S2
Molecular Weight424.48 g/mol
Exact Mass424.07
IUPAC Name(2S)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide
SMILESCCc1cc2c(=O)n(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)cnc2s1
InChIInChI=1S/C17H17FN4O4S2/c1-3-11-8-12-16(27-11)19-9-22(17(12)24)20-15(23)10(2)21-28(25,26)14-7-5-4-6-13(14)18/h4-10,21H,3H2,1-2H3,(H,20,23)/t10-/m0/s1
InChIKeyYGRHKVATRGVABY-JTQLQIEISA-N
XLogP1.60
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide 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

N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide
CID 17451363
2-(2-tert-butylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24538992
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 18203223
4-(difluoromethoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide
CID 8912423
(2S)-N-[(5-bromothiophen-2-yl)methyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 32777538
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-4-(1H-indol-3-yl)butanamide
CID 8001763
2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
CID 119350026
2-(2,5-dimethylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7661786
(2S)-N-(2-ethoxyphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7729683
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24539021
2-fluoro-N-[(2S)-1-[2-(3-methylbutanoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 24554553
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24538983

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide (CID 24539092) is (2S)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide is CCc1cc2c(=O)n(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)cnc2s1.
What is the InChIKey of (2S)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide?
The InChIKey is YGRHKVATRGVABY-JTQLQIEISA-N. The full InChI is InChI=1S/C17H17FN4O4S2/c1-3-11-8-12-16(27-11)19-9-22(17(12)24)20-15(23)10(2)21-28(25,26)14-7-5-4-6-13(14)18/h4-10,21H,3H2,1-2H3,(H,20,23)/t10-/m0/s1.
What are the key properties of (2S)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide?
(2S)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide has a molecular weight of 424.48 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 24539092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).