N-[4-(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)phenyl]sulfonylacetamide

C20H21N3O4S2 — CID 25039697

IUPACN-[4-(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)phenyl]sulfonylacetamide
SMILESCCCCc1ccc2c(N)c(C(=O)c3ccc(S(=O)(=O)NC(C)=O)cc3)sc2n1
InChIInChI=1S/C20H21N3O4S2/c1-3-4-5-14-8-11-16-17(21)19(28-20(16)22-14)18(25)13-6-9-15(10-7-13)29(26,27)23-12(2)24/h6-11H,3-5,21H2,1-2H3,(H,23,24)
InChIKeyHMBYUQGOMJYAFK-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.28
Rot. Bonds7

About N-[4-(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)phenyl]sulfonylacetamide

N-[4-(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)phenyl]sulfonylacetamide (PubChem CID 25039697) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[4-(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)phenyl]sulfonylacetamide
PubChem CID25039697
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC NameN-[4-(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)phenyl]sulfonylacetamide
SMILESCCCCc1ccc2c(N)c(C(=O)c3ccc(S(=O)(=O)NC(C)=O)cc3)sc2n1
InChIInChI=1S/C20H21N3O4S2/c1-3-4-5-14-8-11-16-17(21)19(28-20(16)22-14)18(25)13-6-9-15(10-7-13)29(26,27)23-12(2)24/h6-11H,3-5,21H2,1-2H3,(H,23,24)
InChIKeyHMBYUQGOMJYAFK-UHFFFAOYSA-N
XLogP3.28
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)phenyl]sulfonylacetamide?
The IUPAC name of N-[4-(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)phenyl]sulfonylacetamide (CID 25039697) is N-[4-(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)phenyl]sulfonylacetamide is CCCCc1ccc2c(N)c(C(=O)c3ccc(S(=O)(=O)NC(C)=O)cc3)sc2n1.
What is the InChIKey of N-[4-(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)phenyl]sulfonylacetamide?
The InChIKey is HMBYUQGOMJYAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-3-4-5-14-8-11-16-17(21)19(28-20(16)22-14)18(25)13-6-9-15(10-7-13)29(26,27)23-12(2)24/h6-11H,3-5,21H2,1-2H3,(H,23,24).
What are the key properties of N-[4-(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)phenyl]sulfonylacetamide?
N-[4-(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)phenyl]sulfonylacetamide has a molecular weight of 431.54 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)phenyl]sulfonylacetamide is sourced from PubChem (CID 25039697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).