3-[(4-tert-butylphenoxy)methyl]-5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4H-thieno[3,4-c]pyrrol-6-one;molecular hydrogen

C23H28N2O3S — CID 163855419

IUPAC3-[(4-tert-butylphenoxy)methyl]-5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4H-thieno[3,4-c]pyrrol-6-one;molecular hydrogen
SMILESC=C1CC[C@H](N2Cc3c(csc3COc3ccc(C(C)(C)C)cc3)C2=O)C(=O)N1.[H][H]
InChIInChI=1S/C23H26N2O3S.H2/c1-14-5-10-19(21(26)24-14)25-11-17-18(22(25)27)13-29-20(17)12-28-16-8-6-15(7-9-16)23(2,3)4;/h6-9,13,19H,1,5,10-12H2,2-4H3,(H,24,26);1H/t19-;/m0./s1
InChIKeyOXWCKCORIYLVMH-FYZYNONXSA-N
MW412.56 g/mol
LogP4.62
Rot. Bonds4

About 3-[(4-tert-butylphenoxy)methyl]-5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4H-thieno[3,4-c]pyrrol-6-one;molecular hydrogen

3-[(4-tert-butylphenoxy)methyl]-5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4H-thieno[3,4-c]pyrrol-6-one;molecular hydrogen (PubChem CID 163855419) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is 3-[(4-tert-butylphenoxy)methyl]-5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4H-thieno[3,4-c]pyrrol-6-one;molecular hydrogen.

Molecular Properties

Compound Name3-[(4-tert-butylphenoxy)methyl]-5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4H-thieno[3,4-c]pyrrol-6-one;molecular hydrogen
PubChem CID163855419
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC Name3-[(4-tert-butylphenoxy)methyl]-5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4H-thieno[3,4-c]pyrrol-6-one;molecular hydrogen
SMILESC=C1CC[C@H](N2Cc3c(csc3COc3ccc(C(C)(C)C)cc3)C2=O)C(=O)N1.[H][H]
InChIInChI=1S/C23H26N2O3S.H2/c1-14-5-10-19(21(26)24-14)25-11-17-18(22(25)27)13-29-20(17)12-28-16-8-6-15(7-9-16)23(2,3)4;/h6-9,13,19H,1,5,10-12H2,2-4H3,(H,24,26);1H/t19-;/m0./s1
InChIKeyOXWCKCORIYLVMH-FYZYNONXSA-N
XLogP4.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-tert-butylphenoxy)methyl]-5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4H-thieno[3,4-c]pyrrol-6-one;molecular hydrogen 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

3-[3-[(4-methylphenoxy)methyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
CID 163269119
3-[3-[[(4-tert-butylphenyl)sulfanylamino]methyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
CID 155354867
4-[[5-(2,7-dioxoazepan-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methoxy]benzaldehyde
CID 166681484
(3S)-3-[2-[(4-tert-butylphenoxy)methyl]-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]piperidine-2,6-dione;molecular hydrogen
CID 153374638
4-tert-butyl-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]benzenesulfonamide
CID 155316225
1-(4-tert-butylphenyl)-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]urea
CID 155316217
ethane;3-[3-[(4-methylphenoxy)methyl]-6-sulfanylidene-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
CID 176713528
1-methyl-3-[6-oxo-3-[(4-prop-1-en-2-ylphenoxy)methyl]-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
CID 167478982
1-(4-tert-butylphenyl)-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]cyclopropane-1-carboxamide
CID 155316158
5-tert-butyl-4-chloro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one
CID 158005992
5-(2-methoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 156729357
1-(5-chloro-2,4-dimethylphenyl)-3-[[5-(6-methylidene-2-oxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]urea
CID 158981700

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenoxy)methyl]-5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4H-thieno[3,4-c]pyrrol-6-one;molecular hydrogen?
The IUPAC name of 3-[(4-tert-butylphenoxy)methyl]-5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4H-thieno[3,4-c]pyrrol-6-one;molecular hydrogen (CID 163855419) is 3-[(4-tert-butylphenoxy)methyl]-5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4H-thieno[3,4-c]pyrrol-6-one;molecular hydrogen.
What is the SMILES notation for 3-[(4-tert-butylphenoxy)methyl]-5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4H-thieno[3,4-c]pyrrol-6-one;molecular hydrogen?
The canonical SMILES for 3-[(4-tert-butylphenoxy)methyl]-5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4H-thieno[3,4-c]pyrrol-6-one;molecular hydrogen is C=C1CC[C@H](N2Cc3c(csc3COc3ccc(C(C)(C)C)cc3)C2=O)C(=O)N1.[H][H].
What is the InChIKey of 3-[(4-tert-butylphenoxy)methyl]-5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4H-thieno[3,4-c]pyrrol-6-one;molecular hydrogen?
The InChIKey is OXWCKCORIYLVMH-FYZYNONXSA-N. The full InChI is InChI=1S/C23H26N2O3S.H2/c1-14-5-10-19(21(26)24-14)25-11-17-18(22(25)27)13-29-20(17)12-28-16-8-6-15(7-9-16)23(2,3)4;/h6-9,13,19H,1,5,10-12H2,2-4H3,(H,24,26);1H/t19-;/m0./s1.
What are the key properties of 3-[(4-tert-butylphenoxy)methyl]-5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4H-thieno[3,4-c]pyrrol-6-one;molecular hydrogen?
3-[(4-tert-butylphenoxy)methyl]-5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4H-thieno[3,4-c]pyrrol-6-one;molecular hydrogen has a molecular weight of 412.56 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenoxy)methyl]-5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4H-thieno[3,4-c]pyrrol-6-one;molecular hydrogen is sourced from PubChem (CID 163855419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).