N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]benzenesulfonamide

C19H16N4O2S2 — CID 6539970

IUPACN-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]benzenesulfonamide
SMILESCc1sc2ncnc(N)c2c1-c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H16N4O2S2/c1-12-16(17-18(20)21-11-22-19(17)26-12)13-7-9-14(10-8-13)23-27(24,25)15-5-3-2-4-6-15/h2-11,23H,1H3,(H2,20,21,22)
InChIKeyJVYWUXVYOLSSSK-UHFFFAOYSA-N
MW396.50 g/mol
LogP4.05
Rot. Bonds4

About N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]benzenesulfonamide

N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]benzenesulfonamide (PubChem CID 6539970) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]benzenesulfonamide
PubChem CID6539970
Molecular FormulaC19H16N4O2S2
Molecular Weight396.50 g/mol
Exact Mass396.07
IUPAC NameN-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]benzenesulfonamide
SMILESCc1sc2ncnc(N)c2c1-c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H16N4O2S2/c1-12-16(17-18(20)21-11-22-19(17)26-12)13-7-9-14(10-8-13)23-27(24,25)15-5-3-2-4-6-15/h2-11,23H,1H3,(H2,20,21,22)
InChIKeyJVYWUXVYOLSSSK-UHFFFAOYSA-N
XLogP4.05
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]benzenesulfonamide (CID 6539970) is N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]benzenesulfonamide is Cc1sc2ncnc(N)c2c1-c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]benzenesulfonamide?
The InChIKey is JVYWUXVYOLSSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c1-12-16(17-18(20)21-11-22-19(17)26-12)13-7-9-14(10-8-13)23-27(24,25)15-5-3-2-4-6-15/h2-11,23H,1H3,(H2,20,21,22).
What are the key properties of N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]benzenesulfonamide?
N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]benzenesulfonamide has a molecular weight of 396.50 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 6539970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).