3,4-diamino-2-N,5-N-bis(4-phenoxyphenyl)thieno[2,3-b]thiophene-2,5-dicarboxamide

C32H24N4O4S2 — CID 23972990

IUPAC3,4-diamino-2-N,5-N-bis(4-phenoxyphenyl)thieno[2,3-b]thiophene-2,5-dicarboxamide
SMILESNc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)sc2sc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(N)c12
InChIInChI=1S/C32H24N4O4S2/c33-26-25-27(34)29(31(38)36-20-13-17-24(18-14-20)40-22-9-5-2-6-10-22)42-32(25)41-28(26)30(37)35-19-11-15-23(16-12-19)39-21-7-3-1-4-8-21/h1-18H,33-34H2,(H,35,37)(H,36,38)
InChIKeyAHKJRASXILSFSM-UHFFFAOYSA-N
MW592.70 g/mol
LogP8.22
Rot. Bonds8

About 3,4-diamino-2-N,5-N-bis(4-phenoxyphenyl)thieno[2,3-b]thiophene-2,5-dicarboxamide

3,4-diamino-2-N,5-N-bis(4-phenoxyphenyl)thieno[2,3-b]thiophene-2,5-dicarboxamide (PubChem CID 23972990) has the molecular formula C32H24N4O4S2 and a molecular weight of 592.70 g/mol. Its IUPAC name is 3,4-diamino-2-N,5-N-bis(4-phenoxyphenyl)thieno[2,3-b]thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name3,4-diamino-2-N,5-N-bis(4-phenoxyphenyl)thieno[2,3-b]thiophene-2,5-dicarboxamide
PubChem CID23972990
Molecular FormulaC32H24N4O4S2
Molecular Weight592.70 g/mol
Exact Mass592.12
IUPAC Name3,4-diamino-2-N,5-N-bis(4-phenoxyphenyl)thieno[2,3-b]thiophene-2,5-dicarboxamide
SMILESNc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)sc2sc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(N)c12
InChIInChI=1S/C32H24N4O4S2/c33-26-25-27(34)29(31(38)36-20-13-17-24(18-14-20)40-22-9-5-2-6-10-22)42-32(25)41-28(26)30(37)35-19-11-15-23(16-12-19)39-21-7-3-1-4-8-21/h1-18H,33-34H2,(H,35,37)(H,36,38)
InChIKeyAHKJRASXILSFSM-UHFFFAOYSA-N
XLogP8.22
TPSA128.70 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.70
LogP ≤ 58.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

3,4-diamino-2-N,5-N-bis(2-chlorophenyl)thieno[2,3-b]thiophene-2,5-dicarboxamide
CID 4235037
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
1-chloro-N-(4-phenoxyphenyl)benzo[e][1]benzothiole-2-carboxamide
CID 19164342
methyl 5-[(4-phenoxyphenyl)carbamoyl]thiophene-2-carboxylate
CID 38764463
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
1-amino-3-(4-phenoxyphenyl)urea;hydrochloride
CID 19701837
2-iodo-N-(4-phenoxyphenyl)benzamide
CID 1010138
4-[(4-phenoxybenzoyl)amino]benzoate
CID 6953062
2-[(dimethylamino)methyl]-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
CID 110387303
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
2-benzyl-N-(4-phenoxyphenyl)benzamide
CID 7914966

Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-2-N,5-N-bis(4-phenoxyphenyl)thieno[2,3-b]thiophene-2,5-dicarboxamide?
The IUPAC name of 3,4-diamino-2-N,5-N-bis(4-phenoxyphenyl)thieno[2,3-b]thiophene-2,5-dicarboxamide (CID 23972990) is 3,4-diamino-2-N,5-N-bis(4-phenoxyphenyl)thieno[2,3-b]thiophene-2,5-dicarboxamide.
What is the SMILES notation for 3,4-diamino-2-N,5-N-bis(4-phenoxyphenyl)thieno[2,3-b]thiophene-2,5-dicarboxamide?
The canonical SMILES for 3,4-diamino-2-N,5-N-bis(4-phenoxyphenyl)thieno[2,3-b]thiophene-2,5-dicarboxamide is Nc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)sc2sc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(N)c12.
What is the InChIKey of 3,4-diamino-2-N,5-N-bis(4-phenoxyphenyl)thieno[2,3-b]thiophene-2,5-dicarboxamide?
The InChIKey is AHKJRASXILSFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N4O4S2/c33-26-25-27(34)29(31(38)36-20-13-17-24(18-14-20)40-22-9-5-2-6-10-22)42-32(25)41-28(26)30(37)35-19-11-15-23(16-12-19)39-21-7-3-1-4-8-21/h1-18H,33-34H2,(H,35,37)(H,36,38).
What are the key properties of 3,4-diamino-2-N,5-N-bis(4-phenoxyphenyl)thieno[2,3-b]thiophene-2,5-dicarboxamide?
3,4-diamino-2-N,5-N-bis(4-phenoxyphenyl)thieno[2,3-b]thiophene-2,5-dicarboxamide has a molecular weight of 592.70 g/mol, XLogP of 8.22, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-2-N,5-N-bis(4-phenoxyphenyl)thieno[2,3-b]thiophene-2,5-dicarboxamide is sourced from PubChem (CID 23972990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).