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

C21H26N4O4S2 — CID 24539102

IUPAC3-[(4-tert-butylphenyl)sulfonylamino]-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCCc1cc2c(=O)n(NC(=O)CCNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cnc2s1
InChIInChI=1S/C21H26N4O4S2/c1-5-15-12-17-19(30-15)22-13-25(20(17)27)24-18(26)10-11-23-31(28,29)16-8-6-14(7-9-16)21(2,3)4/h6-9,12-13,23H,5,10-11H2,1-4H3,(H,24,26)
InChIKeyQYRHVKDLJOHDKG-UHFFFAOYSA-N
MW462.60 g/mol
LogP2.76
Rot. Bonds7

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

3-[(4-tert-butylphenyl)sulfonylamino]-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 24539102) has the molecular formula C21H26N4O4S2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)sulfonylamino]-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)sulfonylamino]-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID24539102
Molecular FormulaC21H26N4O4S2
Molecular Weight462.60 g/mol
Exact Mass462.14
IUPAC Name3-[(4-tert-butylphenyl)sulfonylamino]-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCCc1cc2c(=O)n(NC(=O)CCNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cnc2s1
InChIInChI=1S/C21H26N4O4S2/c1-5-15-12-17-19(30-15)22-13-25(20(17)27)24-18(26)10-11-23-31(28,29)16-8-6-14(7-9-16)21(2,3)4/h6-9,12-13,23H,5,10-11H2,1-4H3,(H,24,26)
InChIKeyQYRHVKDLJOHDKG-UHFFFAOYSA-N
XLogP2.76
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(4-tert-butylphenyl)sulfonylamino]-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)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

2-(2,5-dimethylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7661786
(2S)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 24539092
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide
CID 17451363
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-4-(1H-indol-3-yl)butanamide
CID 8001763
2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8912583
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370450
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoic acid
CID 82146687
3-[(4-tert-butylphenyl)sulfonylamino]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]propanamide
CID 56558538
3-[(4-tert-butylphenyl)sulfonylamino]-N-quinolin-3-ylpropanamide
CID 29330631
3-[(4-tert-butylphenyl)sulfonylamino]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
CID 55867467
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(5-ethylthiophen-2-yl)methyl]propanamide
CID 46475956
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide
CID 55464644

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (CID 24539102) is 3-[(4-tert-butylphenyl)sulfonylamino]-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for 3-[(4-tert-butylphenyl)sulfonylamino]-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for 3-[(4-tert-butylphenyl)sulfonylamino]-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is CCc1cc2c(=O)n(NC(=O)CCNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cnc2s1.
What is the InChIKey of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is QYRHVKDLJOHDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S2/c1-5-15-12-17-19(30-15)22-13-25(20(17)27)24-18(26)10-11-23-31(28,29)16-8-6-14(7-9-16)21(2,3)4/h6-9,12-13,23H,5,10-11H2,1-4H3,(H,24,26).
What are the key properties of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
3-[(4-tert-butylphenyl)sulfonylamino]-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 462.60 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)sulfonylamino]-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 24539102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).