4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-[2-(dimethylamino)ethyl]thieno[3,2-c]pyridine-7-carboxamide

C22H29N5O3S2 — CID 56834874

IUPAC4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-[2-(dimethylamino)ethyl]thieno[3,2-c]pyridine-7-carboxamide
SMILESCN(C)CCNC(=O)c1cnc(N)c2cc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3)sc12
InChIInChI=1S/C22H29N5O3S2/c1-22(2,3)26-32(29,30)15-8-6-14(7-9-15)18-12-16-19(31-18)17(13-25-20(16)23)21(28)24-10-11-27(4)5/h6-9,12-13,26H,10-11H2,1-5H3,(H2,23,25)(H,24,28)
InChIKeyNBIYPVUMBLBZST-UHFFFAOYSA-N
MW475.64 g/mol
LogP2.91
Rot. Bonds7

About 4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-[2-(dimethylamino)ethyl]thieno[3,2-c]pyridine-7-carboxamide

4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-[2-(dimethylamino)ethyl]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 56834874) has the molecular formula C22H29N5O3S2 and a molecular weight of 475.64 g/mol. Its IUPAC name is 4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-[2-(dimethylamino)ethyl]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-[2-(dimethylamino)ethyl]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID56834874
Molecular FormulaC22H29N5O3S2
Molecular Weight475.64 g/mol
Exact Mass475.17
IUPAC Name4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-[2-(dimethylamino)ethyl]thieno[3,2-c]pyridine-7-carboxamide
SMILESCN(C)CCNC(=O)c1cnc(N)c2cc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3)sc12
InChIInChI=1S/C22H29N5O3S2/c1-22(2,3)26-32(29,30)15-8-6-14(7-9-15)18-12-16-19(31-18)17(13-25-20(16)23)21(28)24-10-11-27(4)5/h6-9,12-13,26H,10-11H2,1-5H3,(H2,23,25)(H,24,28)
InChIKeyNBIYPVUMBLBZST-UHFFFAOYSA-N
XLogP2.91
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.64
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-[2-(dimethylamino)ethyl]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-[2-(dimethylamino)ethyl]thieno[3,2-c]pyridine-7-carboxamide (CID 56834874) is 4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-[2-(dimethylamino)ethyl]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-[2-(dimethylamino)ethyl]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-[2-(dimethylamino)ethyl]thieno[3,2-c]pyridine-7-carboxamide is CN(C)CCNC(=O)c1cnc(N)c2cc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3)sc12.
What is the InChIKey of 4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-[2-(dimethylamino)ethyl]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is NBIYPVUMBLBZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3S2/c1-22(2,3)26-32(29,30)15-8-6-14(7-9-15)18-12-16-19(31-18)17(13-25-20(16)23)21(28)24-10-11-27(4)5/h6-9,12-13,26H,10-11H2,1-5H3,(H2,23,25)(H,24,28).
What are the key properties of 4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-[2-(dimethylamino)ethyl]thieno[3,2-c]pyridine-7-carboxamide?
4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-[2-(dimethylamino)ethyl]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 475.64 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-[2-(dimethylamino)ethyl]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 56834874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).