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

C29H29N3O2S3 — CID 157492202

IUPAC3-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
SMILESC=C=C=C=C.C=C=C=C=C=C.CCCCS(=O)c1sc2nc(-c3cccs3)cc(C(=O)N(C)C)c2c1N
InChIInChI=1S/C18H21N3O2S3.C6H4.C5H4/c1-4-5-9-26(23)18-15(19)14-11(17(22)21(2)3)10-12(20-16(14)25-18)13-7-6-8-24-13;1-3-5-6-4-2;1-3-5-4-2/h6-8,10H,4-5,9,19H2,1-3H3;1-2H2;1-2H2
InChIKeyBXKKALXIYVYSES-UHFFFAOYSA-N
MW547.77 g/mol
LogP6.91
Rot. Bonds6

About 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

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 (PubChem CID 157492202) has the molecular formula C29H29N3O2S3 and a molecular weight of 547.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID157492202
Molecular FormulaC29H29N3O2S3
Molecular Weight547.77 g/mol
Exact Mass547.14
IUPAC Name3-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
SMILESC=C=C=C=C.C=C=C=C=C=C.CCCCS(=O)c1sc2nc(-c3cccs3)cc(C(=O)N(C)C)c2c1N
InChIInChI=1S/C18H21N3O2S3.C6H4.C5H4/c1-4-5-9-26(23)18-15(19)14-11(17(22)21(2)3)10-12(20-16(14)25-18)13-7-6-8-24-13;1-3-5-6-4-2;1-3-5-4-2/h6-8,10H,4-5,9,19H2,1-3H3;1-2H2;1-2H2
InChIKeyBXKKALXIYVYSES-UHFFFAOYSA-N
XLogP6.91
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.77
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
[4-(3-amino-2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-4-yl)phenyl]methyl 2-(dimethylamino)acetate
CID 129266602
2-octylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 3337992
2-[(R)-octylsulfinyl]-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
CID 92905376
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-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
3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid;2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-propan-2-ylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 159810962
6-(6-amino-3-pyridinyl)-2-[(S)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine
CID 142485859
6-(2-aminopyrimidin-5-yl)-2-butylsulfinyl-4-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 159548372
[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl butanoate
CID 158245330

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C=C=C=C.C=C=C=C=C=C.CCCCS(=O)c1sc2nc(-c3cccs3)cc(C(=O)N(C)C)c2c1N.
What is the InChIKey of 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?
The InChIKey is BXKKALXIYVYSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S3.C6H4.C5H4/c1-4-5-9-26(23)18-15(19)14-11(17(22)21(2)3)10-12(20-16(14)25-18)13-7-6-8-24-13;1-3-5-6-4-2;1-3-5-4-2/h6-8,10H,4-5,9,19H2,1-3H3;1-2H2;1-2H2.
What are the key properties of 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?
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 has a molecular weight of 547.77 g/mol, XLogP of 6.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157492202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).