2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C24H32N4O4S2 — CID 3361723

IUPAC2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4C)cc3)c2C(N)=O)C1
InChIInChI=1S/C24H32N4O4S2/c1-15(2)27-13-11-19-20(14-27)33-24(21(19)22(25)29)26-23(30)17-7-9-18(10-8-17)34(31,32)28-12-5-4-6-16(28)3/h7-10,15-16H,4-6,11-14H2,1-3H3,(H2,25,29)(H,26,30)
InChIKeyCMCQKRDKHMULBX-UHFFFAOYSA-N
MW504.68 g/mol
LogP3.43
Rot. Bonds6

About 2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 3361723) has the molecular formula C24H32N4O4S2 and a molecular weight of 504.68 g/mol. Its IUPAC name is 2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID3361723
Molecular FormulaC24H32N4O4S2
Molecular Weight504.68 g/mol
Exact Mass504.19
IUPAC Name2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4C)cc3)c2C(N)=O)C1
InChIInChI=1S/C24H32N4O4S2/c1-15(2)27-13-11-19-20(14-27)33-24(21(19)22(25)29)26-23(30)17-7-9-18(10-8-17)34(31,32)28-12-5-4-6-16(28)3/h7-10,15-16H,4-6,11-14H2,1-3H3,(H2,25,29)(H,26,30)
InChIKeyCMCQKRDKHMULBX-UHFFFAOYSA-N
XLogP3.43
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.68
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 3361723) is 2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4C)cc3)c2C(N)=O)C1.
What is the InChIKey of 2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is CMCQKRDKHMULBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S2/c1-15(2)27-13-11-19-20(14-27)33-24(21(19)22(25)29)26-23(30)17-7-9-18(10-8-17)34(31,32)28-12-5-4-6-16(28)3/h7-10,15-16H,4-6,11-14H2,1-3H3,(H2,25,29)(H,26,30).
What are the key properties of 2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 504.68 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 3361723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).