N-[3-[4-amino-3-(2-methyl-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide

C23H20N4O2S2 — CID 18450900

IUPACN-[3-[4-amino-3-(2-methyl-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide
SMILESCc1cc2cc(-c3csc4c(-c5cccc(NS(C)(=O)=O)c5)cnc(N)c34)ccc2[nH]1
InChIInChI=1S/C23H20N4O2S2/c1-13-8-16-9-15(6-7-20(16)26-13)19-12-30-22-18(11-25-23(24)21(19)22)14-4-3-5-17(10-14)27-31(2,28)29/h3-12,26-27H,1-2H3,(H2,24,25)
InChIKeyGVPUYHPYLZFUKX-UHFFFAOYSA-N
MW448.57 g/mol
LogP5.37
Rot. Bonds4

About N-[3-[4-amino-3-(2-methyl-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide

N-[3-[4-amino-3-(2-methyl-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide (PubChem CID 18450900) has the molecular formula C23H20N4O2S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[3-[4-amino-3-(2-methyl-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-amino-3-(2-methyl-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide
PubChem CID18450900
Molecular FormulaC23H20N4O2S2
Molecular Weight448.57 g/mol
Exact Mass448.10
IUPAC NameN-[3-[4-amino-3-(2-methyl-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide
SMILESCc1cc2cc(-c3csc4c(-c5cccc(NS(C)(=O)=O)c5)cnc(N)c34)ccc2[nH]1
InChIInChI=1S/C23H20N4O2S2/c1-13-8-16-9-15(6-7-20(16)26-13)19-12-30-22-18(11-25-23(24)21(19)22)14-4-3-5-17(10-14)27-31(2,28)29/h3-12,26-27H,1-2H3,(H2,24,25)
InChIKeyGVPUYHPYLZFUKX-UHFFFAOYSA-N
XLogP5.37
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-amino-3-(2-methyl-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-amino-3-(2-methyl-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide (CID 18450900) is N-[3-[4-amino-3-(2-methyl-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-amino-3-(2-methyl-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-amino-3-(2-methyl-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide is Cc1cc2cc(-c3csc4c(-c5cccc(NS(C)(=O)=O)c5)cnc(N)c34)ccc2[nH]1.
What is the InChIKey of N-[3-[4-amino-3-(2-methyl-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide?
The InChIKey is GVPUYHPYLZFUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S2/c1-13-8-16-9-15(6-7-20(16)26-13)19-12-30-22-18(11-25-23(24)21(19)22)14-4-3-5-17(10-14)27-31(2,28)29/h3-12,26-27H,1-2H3,(H2,24,25).
What are the key properties of N-[3-[4-amino-3-(2-methyl-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide?
N-[3-[4-amino-3-(2-methyl-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide has a molecular weight of 448.57 g/mol, XLogP of 5.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-amino-3-(2-methyl-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 18450900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).