N-[3-(4-aminothieno[3,2-c]pyridin-3-yl)-2-fluorophenyl]-4-methoxy-3-methylbenzenesulfonamide

C21H18FN3O3S2 — CID 138707685

IUPACN-[3-(4-aminothieno[3,2-c]pyridin-3-yl)-2-fluorophenyl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(-c3csc4ccnc(N)c34)c2F)cc1C
InChIInChI=1S/C21H18FN3O3S2/c1-12-10-13(6-7-17(12)28-2)30(26,27)25-16-5-3-4-14(20(16)22)15-11-29-18-8-9-24-21(23)19(15)18/h3-11,25H,1-2H3,(H2,23,24)
InChIKeyFZRMUVVHDHTAMY-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.80
Rot. Bonds5

About N-[3-(4-aminothieno[3,2-c]pyridin-3-yl)-2-fluorophenyl]-4-methoxy-3-methylbenzenesulfonamide

N-[3-(4-aminothieno[3,2-c]pyridin-3-yl)-2-fluorophenyl]-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 138707685) has the molecular formula C21H18FN3O3S2 and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[3-(4-aminothieno[3,2-c]pyridin-3-yl)-2-fluorophenyl]-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-aminothieno[3,2-c]pyridin-3-yl)-2-fluorophenyl]-4-methoxy-3-methylbenzenesulfonamide
PubChem CID138707685
Molecular FormulaC21H18FN3O3S2
Molecular Weight443.53 g/mol
Exact Mass443.08
IUPAC NameN-[3-(4-aminothieno[3,2-c]pyridin-3-yl)-2-fluorophenyl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(-c3csc4ccnc(N)c34)c2F)cc1C
InChIInChI=1S/C21H18FN3O3S2/c1-12-10-13(6-7-17(12)28-2)30(26,27)25-16-5-3-4-14(20(16)22)15-11-29-18-8-9-24-21(23)19(15)18/h3-11,25H,1-2H3,(H2,23,24)
InChIKeyFZRMUVVHDHTAMY-UHFFFAOYSA-N
XLogP4.80
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminothieno[3,2-c]pyridin-3-yl)-2-fluorophenyl]-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-[3-(4-aminothieno[3,2-c]pyridin-3-yl)-2-fluorophenyl]-4-methoxy-3-methylbenzenesulfonamide (CID 138707685) is N-[3-(4-aminothieno[3,2-c]pyridin-3-yl)-2-fluorophenyl]-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(4-aminothieno[3,2-c]pyridin-3-yl)-2-fluorophenyl]-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(4-aminothieno[3,2-c]pyridin-3-yl)-2-fluorophenyl]-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(-c3csc4ccnc(N)c34)c2F)cc1C.
What is the InChIKey of N-[3-(4-aminothieno[3,2-c]pyridin-3-yl)-2-fluorophenyl]-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is FZRMUVVHDHTAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3S2/c1-12-10-13(6-7-17(12)28-2)30(26,27)25-16-5-3-4-14(20(16)22)15-11-29-18-8-9-24-21(23)19(15)18/h3-11,25H,1-2H3,(H2,23,24).
What are the key properties of N-[3-(4-aminothieno[3,2-c]pyridin-3-yl)-2-fluorophenyl]-4-methoxy-3-methylbenzenesulfonamide?
N-[3-(4-aminothieno[3,2-c]pyridin-3-yl)-2-fluorophenyl]-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 443.53 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminothieno[3,2-c]pyridin-3-yl)-2-fluorophenyl]-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 138707685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).