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

C20H22N4O4S2 — CID 25038545

IUPACN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-butylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCCc1ccc2c(N)c(C(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)sc2n1
InChIInChI=1S/C20H22N4O4S2/c1-3-4-5-13-8-11-16-17(21)18(29-20(16)23-13)19(26)22-14-6-9-15(10-7-14)30(27,28)24-12(2)25/h6-11H,3-5,21H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyQTIARZNUAIPCSZ-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.30
Rot. Bonds7

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

N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-butylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 25038545) has the molecular formula C20H22N4O4S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-butylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-butylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID25038545
Molecular FormulaC20H22N4O4S2
Molecular Weight446.55 g/mol
Exact Mass446.11
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-butylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCCc1ccc2c(N)c(C(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)sc2n1
InChIInChI=1S/C20H22N4O4S2/c1-3-4-5-13-8-11-16-17(21)18(29-20(16)23-13)19(26)22-14-6-9-15(10-7-14)30(27,28)24-12(2)25/h6-11H,3-5,21H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyQTIARZNUAIPCSZ-UHFFFAOYSA-N
XLogP3.30
TPSA131.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-butylthieno[2,3-b]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

Related Compounds

N-[4-(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)phenyl]sulfonylacetamide
CID 25039697
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
3-amino-6-butyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 25038301
3-amino-N-(4-cyanophenyl)-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23916903
3-amino-N-naphthalen-2-yl-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23916901
3-amino-N-(3-methylphenyl)-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23745667
N-(4-acetamidophenyl)-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 23944865
N-[4-(acetylsulfamoyl)phenyl]-3-propyl-1-benzothiophene-2-carboxamide
CID 110500842
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
3-amino-6-propyl-N-[5-(trifluoromethyl)-2-pyridinyl]thieno[2,3-b]pyridine-2-carboxamide
CID 87047894
3-amino-N-(4-ethoxyphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23745634

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-butylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-butylthieno[2,3-b]pyridine-2-carboxamide (CID 25038545) is N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-butylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-butylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-butylthieno[2,3-b]pyridine-2-carboxamide is CCCCc1ccc2c(N)c(C(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)sc2n1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-butylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QTIARZNUAIPCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S2/c1-3-4-5-13-8-11-16-17(21)18(29-20(16)23-13)19(26)22-14-6-9-15(10-7-14)30(27,28)24-12(2)25/h6-11H,3-5,21H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-butylthieno[2,3-b]pyridine-2-carboxamide?
N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-butylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 3.30, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-butylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 25038545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).