3-amino-6-butyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

C20H24N4O3S2 — CID 25038301

IUPAC3-amino-6-butyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCCCCc1ccc2c(N)c(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)sc2n1
InChIInChI=1S/C20H24N4O3S2/c1-2-3-4-14-7-10-16-17(21)18(28-20(16)24-14)19(25)23-12-11-13-5-8-15(9-6-13)29(22,26)27/h5-10H,2-4,11-12,21H2,1H3,(H,23,25)(H2,22,26,27)
InChIKeyHIOCHMOTYFPJTC-UHFFFAOYSA-N
MW432.57 g/mol
LogP2.84
Rot. Bonds8

About 3-amino-6-butyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-butyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 25038301) has the molecular formula C20H24N4O3S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 3-amino-6-butyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-butyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID25038301
Molecular FormulaC20H24N4O3S2
Molecular Weight432.57 g/mol
Exact Mass432.13
IUPAC Name3-amino-6-butyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCCCCc1ccc2c(N)c(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)sc2n1
InChIInChI=1S/C20H24N4O3S2/c1-2-3-4-14-7-10-16-17(21)18(28-20(16)24-14)19(25)23-12-11-13-5-8-15(9-6-13)29(22,26)27/h5-10H,2-4,11-12,21H2,1H3,(H,23,25)(H2,22,26,27)
InChIKeyHIOCHMOTYFPJTC-UHFFFAOYSA-N
XLogP2.84
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-6-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 21232420
N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-butylthieno[2,3-b]pyridine-2-carboxamide
CID 25038545
N-[4-(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)phenyl]sulfonylacetamide
CID 25039697
3-amino-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 21232418
3,6-diamino-5-cyano-4-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 25034689
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide
CID 7576744
3-amino-N-(4-ethylphenyl)-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23888928
3-[(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid
CID 21233452
5-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-2-carboxamide
CID 109180864
2,3,5-trimethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 39084705
(3-amino-6-butylthieno[2,3-b]pyridin-2-yl)-(4-nitrophenyl)methanone
CID 23800286
3-amino-6-butyl-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 23745648

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-butyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-butyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 25038301) is 3-amino-6-butyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-butyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-butyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is CCCCc1ccc2c(N)c(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)sc2n1.
What is the InChIKey of 3-amino-6-butyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is HIOCHMOTYFPJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S2/c1-2-3-4-14-7-10-16-17(21)18(28-20(16)24-14)19(25)23-12-11-13-5-8-15(9-6-13)29(22,26)27/h5-10H,2-4,11-12,21H2,1H3,(H,23,25)(H2,22,26,27).
What are the key properties of 3-amino-6-butyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-butyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 2.84, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-butyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 25038301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).