N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]cyclopropanecarboxamide

About N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]cyclopropanecarboxamide

N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]cyclopropanecarboxamide (PubChem CID 156838393) has the molecular formula C21H23N3O7S2 and a molecular weight of 493.56 g/mol. Its IUPAC name is N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound Name	N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]cyclopropanecarboxamide
PubChem CID	156838393
Molecular Formula	C21H23N3O7S2
Molecular Weight	493.56 g/mol
Exact Mass	493.10
IUPAC Name	N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]cyclopropanecarboxamide
SMILES	CCOc1nc([C@@H](CS(C)(=O)=O)N2C(=O)c3csc(NC(=O)C4CC4)c3C2=O)ccc1OC
InChI	InChI=1S/C21H23N3O7S2/c1-4-31-18-15(30-2)8-7-13(22-18)14(10-33(3,28)29)24-20(26)12-9-32-19(16(12)21(24)27)23-17(25)11-5-6-11/h7-9,11,14H,4-6,10H2,1-3H3,(H,23,25)/t14-/m1/s1
InChIKey	ZBZZCFOQIIJGSO-CQSZACIVSA-N
XLogP	2.28
TPSA	131.97 Å²
H-Bond Donors	1
H-Bond Acceptors	9
Rotatable Bonds	9
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.56
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]cyclopropanecarboxamide (CID 156838393) is N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]cyclopropanecarboxamide is CCOc1nc([C@@H](CS(C)(=O)=O)N2C(=O)c3csc(NC(=O)C4CC4)c3C2=O)ccc1OC.

What is the InChIKey of N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]cyclopropanecarboxamide?

The InChIKey is ZBZZCFOQIIJGSO-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N3O7S2/c1-4-31-18-15(30-2)8-7-13(22-18)14(10-33(3,28)29)24-20(26)12-9-32-19(16(12)21(24)27)23-17(25)11-5-6-11/h7-9,11,14H,4-6,10H2,1-3H3,(H,23,25)/t14-/m1/s1.

What are the key properties of N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]cyclopropanecarboxamide?

N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]cyclopropanecarboxamide has a molecular weight of 493.56 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 156838393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).