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

C22H20N4O3S2 — CID 21232420

IUPAC3-amino-6-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)sc2nc(-c3ccccc3)ccc12
InChIInChI=1S/C22H20N4O3S2/c23-19-17-10-11-18(15-4-2-1-3-5-15)26-22(17)30-20(19)21(27)25-13-12-14-6-8-16(9-7-14)31(24,28)29/h1-11H,12-13,23H2,(H,25,27)(H2,24,28,29)
InChIKeyINFXUGKYEUJPOG-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.17
Rot. Bonds6

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

3-amino-6-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 21232420) has the molecular formula C22H20N4O3S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 3-amino-6-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID21232420
Molecular FormulaC22H20N4O3S2
Molecular Weight452.56 g/mol
Exact Mass452.10
IUPAC Name3-amino-6-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)sc2nc(-c3ccccc3)ccc12
InChIInChI=1S/C22H20N4O3S2/c23-19-17-10-11-18(15-4-2-1-3-5-15)26-22(17)30-20(19)21(27)25-13-12-14-6-8-16(9-7-14)31(24,28)29/h1-11H,12-13,23H2,(H,25,27)(H2,24,28,29)
InChIKeyINFXUGKYEUJPOG-UHFFFAOYSA-N
XLogP3.17
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-6-butyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 25038301
3-amino-N-[2-(4-fluorophenyl)ethyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1003840
3-amino-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 21232418
2-oxo-4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-6-carboxamide
CID 110332104
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,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide
CID 23999219
3-amino-6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 1004132
3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbohydrazide
CID 53270913
benzyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate
CID 1009034
2-(2-chlorophenyl)-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 42571000
2-[3-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]acetic acid;hydrochloride
CID 155556827

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 21232420) is 3-amino-6-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)sc2nc(-c3ccccc3)ccc12.
What is the InChIKey of 3-amino-6-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is INFXUGKYEUJPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S2/c23-19-17-10-11-18(15-4-2-1-3-5-15)26-22(17)30-20(19)21(27)25-13-12-14-6-8-16(9-7-14)31(24,28)29/h1-11H,12-13,23H2,(H,25,27)(H2,24,28,29).
What are the key properties of 3-amino-6-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 21232420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).