5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide

C24H25N5O4S2 — CID 168948288

IUPAC5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide
SMILESCN1CCc2sc(S(=O)(=O)NC(=O)Nc3c(-c4ccc(C(N)=O)nc4)ccc4c3CCC4)cc2C1
InChIInChI=1S/C24H25N5O4S2/c1-29-10-9-20-16(13-29)11-21(34-20)35(32,33)28-24(31)27-22-17-4-2-3-14(17)5-7-18(22)15-6-8-19(23(25)30)26-12-15/h5-8,11-12H,2-4,9-10,13H2,1H3,(H2,25,30)(H2,27,28,31)
InChIKeyZNCHXQCLXMASJF-UHFFFAOYSA-N
MW511.63 g/mol
LogP2.90
Rot. Bonds5

About 5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide

5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide (PubChem CID 168948288) has the molecular formula C24H25N5O4S2 and a molecular weight of 511.63 g/mol. Its IUPAC name is 5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide
PubChem CID168948288
Molecular FormulaC24H25N5O4S2
Molecular Weight511.63 g/mol
Exact Mass511.13
IUPAC Name5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide
SMILESCN1CCc2sc(S(=O)(=O)NC(=O)Nc3c(-c4ccc(C(N)=O)nc4)ccc4c3CCC4)cc2C1
InChIInChI=1S/C24H25N5O4S2/c1-29-10-9-20-16(13-29)11-21(34-20)35(32,33)28-24(31)27-22-17-4-2-3-14(17)5-7-18(22)15-6-8-19(23(25)30)26-12-15/h5-8,11-12H,2-4,9-10,13H2,1H3,(H2,25,30)(H2,27,28,31)
InChIKeyZNCHXQCLXMASJF-UHFFFAOYSA-N
XLogP2.90
TPSA134.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.63
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide (CID 168948288) is 5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide is CN1CCc2sc(S(=O)(=O)NC(=O)Nc3c(-c4ccc(C(N)=O)nc4)ccc4c3CCC4)cc2C1.
What is the InChIKey of 5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide?
The InChIKey is ZNCHXQCLXMASJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S2/c1-29-10-9-20-16(13-29)11-21(34-20)35(32,33)28-24(31)27-22-17-4-2-3-14(17)5-7-18(22)15-6-8-19(23(25)30)26-12-15/h5-8,11-12H,2-4,9-10,13H2,1H3,(H2,25,30)(H2,27,28,31).
What are the key properties of 5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide?
5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide has a molecular weight of 511.63 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 168948288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).