5,5,7,7-tetramethyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide

C25H34N4O4S2 — CID 5098838

IUPAC5,5,7,7-tetramethyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC(C)(C)NC4(C)C)cc2)CC1
InChIInChI=1S/C25H34N4O4S2/c1-15-10-12-29(13-11-15)35(32,33)17-8-6-16(7-9-17)22(31)27-23-19(21(26)30)18-14-24(2,3)28-25(4,5)20(18)34-23/h6-9,15,28H,10-14H2,1-5H3,(H2,26,30)(H,27,31)
InChIKeySPWIVAGBOPEXBQ-UHFFFAOYSA-N
MW518.71 g/mol
LogP3.68
Rot. Bonds5

About 5,5,7,7-tetramethyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide

5,5,7,7-tetramethyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide (PubChem CID 5098838) has the molecular formula C25H34N4O4S2 and a molecular weight of 518.71 g/mol. Its IUPAC name is 5,5,7,7-tetramethyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,5,7,7-tetramethyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
PubChem CID5098838
Molecular FormulaC25H34N4O4S2
Molecular Weight518.71 g/mol
Exact Mass518.20
IUPAC Name5,5,7,7-tetramethyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC(C)(C)NC4(C)C)cc2)CC1
InChIInChI=1S/C25H34N4O4S2/c1-15-10-12-29(13-11-15)35(32,33)17-8-6-16(7-9-17)22(31)27-23-19(21(26)30)18-14-24(2,3)28-25(4,5)20(18)34-23/h6-9,15,28H,10-14H2,1-5H3,(H2,26,30)(H,27,31)
InChIKeySPWIVAGBOPEXBQ-UHFFFAOYSA-N
XLogP3.68
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.71
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,5,7,7-tetramethyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 5,5,7,7-tetramethyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide (CID 5098838) is 5,5,7,7-tetramethyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5,5,7,7-tetramethyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5,5,7,7-tetramethyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide is CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC(C)(C)NC4(C)C)cc2)CC1.
What is the InChIKey of 5,5,7,7-tetramethyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is SPWIVAGBOPEXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4S2/c1-15-10-12-29(13-11-15)35(32,33)17-8-6-16(7-9-17)22(31)27-23-19(21(26)30)18-14-24(2,3)28-25(4,5)20(18)34-23/h6-9,15,28H,10-14H2,1-5H3,(H2,26,30)(H,27,31).
What are the key properties of 5,5,7,7-tetramethyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide?
5,5,7,7-tetramethyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 518.71 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7,7-tetramethyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 5098838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).