N-[1-(benzenesulfonyl)indol-5-yl]-6-phenylthieno[3,2-d]pyrimidin-4-amine

C26H18N4O2S2 — CID 11102921

IUPACN-[1-(benzenesulfonyl)indol-5-yl]-6-phenylthieno[3,2-d]pyrimidin-4-amine
SMILESO=S(=O)(c1ccccc1)n1ccc2cc(Nc3ncnc4cc(-c5ccccc5)sc34)ccc21
InChIInChI=1S/C26H18N4O2S2/c31-34(32,21-9-5-2-6-10-21)30-14-13-19-15-20(11-12-23(19)30)29-26-25-22(27-17-28-26)16-24(33-25)18-7-3-1-4-8-18/h1-17H,(H,27,28,29)
InChIKeyYKJYSYWXBZWFJT-UHFFFAOYSA-N
MW482.59 g/mol
LogP6.29
Rot. Bonds5

About N-[1-(benzenesulfonyl)indol-5-yl]-6-phenylthieno[3,2-d]pyrimidin-4-amine

N-[1-(benzenesulfonyl)indol-5-yl]-6-phenylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 11102921) has the molecular formula C26H18N4O2S2 and a molecular weight of 482.59 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)indol-5-yl]-6-phenylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)indol-5-yl]-6-phenylthieno[3,2-d]pyrimidin-4-amine
PubChem CID11102921
Molecular FormulaC26H18N4O2S2
Molecular Weight482.59 g/mol
Exact Mass482.09
IUPAC NameN-[1-(benzenesulfonyl)indol-5-yl]-6-phenylthieno[3,2-d]pyrimidin-4-amine
SMILESO=S(=O)(c1ccccc1)n1ccc2cc(Nc3ncnc4cc(-c5ccccc5)sc34)ccc21
InChIInChI=1S/C26H18N4O2S2/c31-34(32,21-9-5-2-6-10-21)30-14-13-19-15-20(11-12-23(19)30)29-26-25-22(27-17-28-26)16-24(33-25)18-7-3-1-4-8-18/h1-17H,(H,27,28,29)
InChIKeyYKJYSYWXBZWFJT-UHFFFAOYSA-N
XLogP6.29
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.59
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(benzenesulfonyl)indol-5-yl]-6-phenylthieno[3,2-d]pyrimidin-4-amine 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

6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]-N-(1-thiophen-2-ylsulfonylindol-5-yl)thieno[3,2-d]pyrimidin-4-amine
CID 11409542
N-[1-(benzenesulfonyl)indol-5-yl]-6-[3-(2-methoxyethylamino)prop-1-ynyl]quinazolin-4-amine
CID 69484727
N-[4-(5-methyltetrazol-1-yl)phenyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine
CID 18383046
3-chloro-4-phenyl-1-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]azetidin-2-one
CID 11795657
[5-[1-(benzenesulfonyl)indol-5-yl]-3-fluoro-2-pyridinyl]hydrazine
CID 163365939
4-[4-(indol-1-ylamino)thieno[3,2-d]pyrimidin-6-yl]benzaldehyde
CID 54206320
6-phenyl-N-(2-phenyl-1H-indol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 18382918
6-phenyl-N-(1-phenylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 18382769
[(3R,5S)-5-[2-[4-[(1-thiophen-2-ylsulfonylindol-5-yl)amino]thieno[3,2-d]pyrimidin-6-yl]ethynyl]pyrrolidin-3-yl] morpholine-4-carboxylate;hydrochloride
CID 44527683
N-(3-ethynylphenyl)-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 18383036
1-N-(4-methoxyphenyl)-4-N-[6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]benzene-1,4-diamine
CID 18383085
3-chloro-4-(4-methoxyphenyl)-1-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]azetidin-2-one
CID 10503106

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)indol-5-yl]-6-phenylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(benzenesulfonyl)indol-5-yl]-6-phenylthieno[3,2-d]pyrimidin-4-amine (CID 11102921) is N-[1-(benzenesulfonyl)indol-5-yl]-6-phenylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(benzenesulfonyl)indol-5-yl]-6-phenylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(benzenesulfonyl)indol-5-yl]-6-phenylthieno[3,2-d]pyrimidin-4-amine is O=S(=O)(c1ccccc1)n1ccc2cc(Nc3ncnc4cc(-c5ccccc5)sc34)ccc21.
What is the InChIKey of N-[1-(benzenesulfonyl)indol-5-yl]-6-phenylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is YKJYSYWXBZWFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O2S2/c31-34(32,21-9-5-2-6-10-21)30-14-13-19-15-20(11-12-23(19)30)29-26-25-22(27-17-28-26)16-24(33-25)18-7-3-1-4-8-18/h1-17H,(H,27,28,29).
What are the key properties of N-[1-(benzenesulfonyl)indol-5-yl]-6-phenylthieno[3,2-d]pyrimidin-4-amine?
N-[1-(benzenesulfonyl)indol-5-yl]-6-phenylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 482.59 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)indol-5-yl]-6-phenylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 11102921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).