2-benzylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-[methyl(methylidene)-λ4-sulfanyl]-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine

C88H80N8O3S12 — CID 157257517

IUPAC2-benzylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-[methyl(methylidene)-λ4-sulfanyl]-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
SMILESC=S(C)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCCCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.Nc1c(S(=O)Cc2ccccc2)sc2nc(-c3cccs3)cc(-c3ccccc3)c12
InChIInChI=1S/C24H18N2OS3.C23H24N2OS3.C22H22N2OS3.C19H16N2S3/c25-22-21-18(17-10-5-2-6-11-17)14-19(20-12-7-13-28-20)26-23(21)29-24(22)30(27)15-16-8-3-1-4-9-16;1-2-3-4-8-14-29(26)23-21(24)20-17(16-10-6-5-7-11-16)15-18(25-22(20)28-23)19-12-9-13-27-19;1-2-3-7-13-28(25)22-20(23)19-16(15-9-5-4-6-10-15)14-17(24-21(19)27-22)18-11-8-12-26-18;1-24(2)19-17(20)16-13(12-7-4-3-5-8-12)11-14(21-18(16)23-19)15-9-6-10-22-15/h1-14H,15,25H2;5-7,9-13,15H,2-4,8,14,24H2,1H3;4-6,8-12,14H,2-3,7,13,23H2,1H3;3-11H,1,20H2,2H3
InChIKeyAXBIBRJWIAJYLB-UHFFFAOYSA-N
MW1682.46 g/mol
LogP26.08
Rot. Bonds23

About 2-benzylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-[methyl(methylidene)-λ4-sulfanyl]-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine

2-benzylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-[methyl(methylidene)-λ4-sulfanyl]-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine (PubChem CID 157257517) has the molecular formula C88H80N8O3S12 and a molecular weight of 1682.46 g/mol. Its IUPAC name is 2-benzylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-[methyl(methylidene)-λ4-sulfanyl]-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-benzylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-[methyl(methylidene)-λ4-sulfanyl]-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
PubChem CID157257517
Molecular FormulaC88H80N8O3S12
Molecular Weight1682.46 g/mol
Exact Mass1680.30
IUPAC Name2-benzylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-[methyl(methylidene)-λ4-sulfanyl]-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
SMILESC=S(C)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCCCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.Nc1c(S(=O)Cc2ccccc2)sc2nc(-c3cccs3)cc(-c3ccccc3)c12
InChIInChI=1S/C24H18N2OS3.C23H24N2OS3.C22H22N2OS3.C19H16N2S3/c25-22-21-18(17-10-5-2-6-11-17)14-19(20-12-7-13-28-20)26-23(21)29-24(22)30(27)15-16-8-3-1-4-9-16;1-2-3-4-8-14-29(26)23-21(24)20-17(16-10-6-5-7-11-16)15-18(25-22(20)28-23)19-12-9-13-27-19;1-2-3-7-13-28(25)22-20(23)19-16(15-9-5-4-6-10-15)14-17(24-21(19)27-22)18-11-8-12-26-18;1-24(2)19-17(20)16-13(12-7-4-3-5-8-12)11-14(21-18(16)23-19)15-9-6-10-22-15/h1-14H,15,25H2;5-7,9-13,15H,2-4,8,14,24H2,1H3;4-6,8-12,14H,2-3,7,13,23H2,1H3;3-11H,1,20H2,2H3
InChIKeyAXBIBRJWIAJYLB-UHFFFAOYSA-N
XLogP26.08
TPSA206.85 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001682.46
LogP ≤ 526.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-benzylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-[methyl(methylidene)-λ4-sulfanyl]-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

2-octylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 3337992
4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutan-1-ol
CID 118050770
4-[(S)-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinyl]butyl acetate
CID 134194395
4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutyl acetate
CID 118050655
2-[(R)-octylsulfinyl]-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
CID 92905376
[4-(3-amino-2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-4-yl)phenyl]methyl 2-(dimethylamino)acetate
CID 129266602
6-(6-amino-3-pyridinyl)-2-[(S)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine
CID 142485859
2-butylsulfinyl-6-[2-(methylamino)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine
CID 142485864
2-[4-[5-[3-amino-2-(3-methoxypropylsulfinyl)-4-phenylthieno[2,3-b]pyridin-6-yl]thiophen-3-yl]butylsulfanyl]-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 134576829
5-bromoocta-1,2,3,4,6,7-hexaene;4-(4-bromophenyl)-2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;ethene;penta-1,2,3,4-tetraene
CID 158628602
2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine
CID 135387346
3-amino-2-butylsulfinyl-N,N-dimethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxamide;hexa-1,2,3,4,5-pentaene;penta-1,2,3,4-tetraene
CID 157492202

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-[methyl(methylidene)-λ4-sulfanyl]-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-benzylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-[methyl(methylidene)-λ4-sulfanyl]-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine (CID 157257517) is 2-benzylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-[methyl(methylidene)-λ4-sulfanyl]-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-benzylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-[methyl(methylidene)-λ4-sulfanyl]-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-benzylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-[methyl(methylidene)-λ4-sulfanyl]-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine is C=S(C)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCCCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.Nc1c(S(=O)Cc2ccccc2)sc2nc(-c3cccs3)cc(-c3ccccc3)c12.
What is the InChIKey of 2-benzylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-[methyl(methylidene)-λ4-sulfanyl]-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?
The InChIKey is AXBIBRJWIAJYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2OS3.C23H24N2OS3.C22H22N2OS3.C19H16N2S3/c25-22-21-18(17-10-5-2-6-11-17)14-19(20-12-7-13-28-20)26-23(21)29-24(22)30(27)15-16-8-3-1-4-9-16;1-2-3-4-8-14-29(26)23-21(24)20-17(16-10-6-5-7-11-16)15-18(25-22(20)28-23)19-12-9-13-27-19;1-2-3-7-13-28(25)22-20(23)19-16(15-9-5-4-6-10-15)14-17(24-21(19)27-22)18-11-8-12-26-18;1-24(2)19-17(20)16-13(12-7-4-3-5-8-12)11-14(21-18(16)23-19)15-9-6-10-22-15/h1-14H,15,25H2;5-7,9-13,15H,2-4,8,14,24H2,1H3;4-6,8-12,14H,2-3,7,13,23H2,1H3;3-11H,1,20H2,2H3.
What are the key properties of 2-benzylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-[methyl(methylidene)-λ4-sulfanyl]-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?
2-benzylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-[methyl(methylidene)-λ4-sulfanyl]-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine has a molecular weight of 1682.46 g/mol, XLogP of 26.08, 23 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-[methyl(methylidene)-λ4-sulfanyl]-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 157257517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).