N-[4-[3,6-diamino-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]sulfonylacetamide

C26H23N5O4S2 — CID 25046304

IUPACN-[4-[3,6-diamino-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(C(=O)c2sc3nc(N)c(C#N)c(-c4ccc(C(C)C)cc4)c3c2N)cc1
InChIInChI=1S/C26H23N5O4S2/c1-13(2)15-4-6-16(7-5-15)20-19(12-27)25(29)30-26-21(20)22(28)24(36-26)23(33)17-8-10-18(11-9-17)37(34,35)31-14(3)32/h4-11,13H,28H2,1-3H3,(H2,29,30)(H,31,32)
InChIKeyODVQKKFXDJCQTH-UHFFFAOYSA-N
MW533.64 g/mol
LogP4.18
Rot. Bonds6

About N-[4-[3,6-diamino-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]sulfonylacetamide

N-[4-[3,6-diamino-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]sulfonylacetamide (PubChem CID 25046304) has the molecular formula C26H23N5O4S2 and a molecular weight of 533.64 g/mol. Its IUPAC name is N-[4-[3,6-diamino-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[3,6-diamino-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]sulfonylacetamide
PubChem CID25046304
Molecular FormulaC26H23N5O4S2
Molecular Weight533.64 g/mol
Exact Mass533.12
IUPAC NameN-[4-[3,6-diamino-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(C(=O)c2sc3nc(N)c(C#N)c(-c4ccc(C(C)C)cc4)c3c2N)cc1
InChIInChI=1S/C26H23N5O4S2/c1-13(2)15-4-6-16(7-5-15)20-19(12-27)25(29)30-26-21(20)22(28)24(36-26)23(33)17-8-10-18(11-9-17)37(34,35)31-14(3)32/h4-11,13H,28H2,1-3H3,(H2,29,30)(H,31,32)
InChIKeyODVQKKFXDJCQTH-UHFFFAOYSA-N
XLogP4.18
TPSA169.03 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.64
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[4-[3,6-diamino-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]sulfonylacetamide 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

4-(3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carbonyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 25034754
3,6-diamino-N-tert-butyl-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23830110
3,6-diamino-2-benzoyl-4-phenylthieno[2,3-b]pyridine-5-carbonitrile
CID 1070240
3,6-diamino-5-cyano-N-(2-methylphenyl)-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1042928
3,6-diamino-2-(4-chlorobenzoyl)-4-thiophen-3-ylthieno[2,3-b]pyridine-5-carbonitrile
CID 23887463
3,6-diamino-5-cyano-N-(3-methoxyphenyl)-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 6618684
ethyl 3,6-diamino-5-cyano-4-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxylate
CID 23775054
3,6-diamino-2-(4-methoxybenzoyl)-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile
CID 6960206
3,6-diamino-2-(3,4-dichlorobenzoyl)-4-thiophen-3-ylthieno[2,3-b]pyridine-5-carbonitrile
CID 23802495
3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3117016
3,6-diamino-5-cyano-N,4-bis(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23733033
3,6-diamino-N-butan-2-yl-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830075

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,6-diamino-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[3,6-diamino-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]sulfonylacetamide (CID 25046304) is N-[4-[3,6-diamino-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[3,6-diamino-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[3,6-diamino-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(C(=O)c2sc3nc(N)c(C#N)c(-c4ccc(C(C)C)cc4)c3c2N)cc1.
What is the InChIKey of N-[4-[3,6-diamino-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]sulfonylacetamide?
The InChIKey is ODVQKKFXDJCQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4S2/c1-13(2)15-4-6-16(7-5-15)20-19(12-27)25(29)30-26-21(20)22(28)24(36-26)23(33)17-8-10-18(11-9-17)37(34,35)31-14(3)32/h4-11,13H,28H2,1-3H3,(H2,29,30)(H,31,32).
What are the key properties of N-[4-[3,6-diamino-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]sulfonylacetamide?
N-[4-[3,6-diamino-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]sulfonylacetamide has a molecular weight of 533.64 g/mol, XLogP of 4.18, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,6-diamino-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]sulfonylacetamide is sourced from PubChem (CID 25046304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).