N-[3-[(3-acetamido-1H-indazol-6-yl)sulfanyl]phenyl]-3-methoxybenzamide

C23H20N4O3S — CID 168510234

IUPACN-[3-[(3-acetamido-1H-indazol-6-yl)sulfanyl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cccc(Sc3ccc4c(NC(C)=O)n[nH]c4c3)c2)c1
InChIInChI=1S/C23H20N4O3S/c1-14(28)24-22-20-10-9-19(13-21(20)26-27-22)31-18-8-4-6-16(12-18)25-23(29)15-5-3-7-17(11-15)30-2/h3-13H,1-2H3,(H,25,29)(H2,24,26,27,28)
InChIKeyWIHFQIGUNWHWQM-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.93
Rot. Bonds6

About N-[3-[(3-acetamido-1H-indazol-6-yl)sulfanyl]phenyl]-3-methoxybenzamide

N-[3-[(3-acetamido-1H-indazol-6-yl)sulfanyl]phenyl]-3-methoxybenzamide (PubChem CID 168510234) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-[3-[(3-acetamido-1H-indazol-6-yl)sulfanyl]phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[(3-acetamido-1H-indazol-6-yl)sulfanyl]phenyl]-3-methoxybenzamide
PubChem CID168510234
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC NameN-[3-[(3-acetamido-1H-indazol-6-yl)sulfanyl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cccc(Sc3ccc4c(NC(C)=O)n[nH]c4c3)c2)c1
InChIInChI=1S/C23H20N4O3S/c1-14(28)24-22-20-10-9-19(13-21(20)26-27-22)31-18-8-4-6-16(12-18)25-23(29)15-5-3-7-17(11-15)30-2/h3-13H,1-2H3,(H,25,29)(H2,24,26,27,28)
InChIKeyWIHFQIGUNWHWQM-UHFFFAOYSA-N
XLogP4.93
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-acetamido-1H-indazol-6-yl)sulfanyl]phenyl]-3-methoxybenzamide?
The IUPAC name of N-[3-[(3-acetamido-1H-indazol-6-yl)sulfanyl]phenyl]-3-methoxybenzamide (CID 168510234) is N-[3-[(3-acetamido-1H-indazol-6-yl)sulfanyl]phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-[(3-acetamido-1H-indazol-6-yl)sulfanyl]phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-[(3-acetamido-1H-indazol-6-yl)sulfanyl]phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2cccc(Sc3ccc4c(NC(C)=O)n[nH]c4c3)c2)c1.
What is the InChIKey of N-[3-[(3-acetamido-1H-indazol-6-yl)sulfanyl]phenyl]-3-methoxybenzamide?
The InChIKey is WIHFQIGUNWHWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-14(28)24-22-20-10-9-19(13-21(20)26-27-22)31-18-8-4-6-16(12-18)25-23(29)15-5-3-7-17(11-15)30-2/h3-13H,1-2H3,(H,25,29)(H2,24,26,27,28).
What are the key properties of N-[3-[(3-acetamido-1H-indazol-6-yl)sulfanyl]phenyl]-3-methoxybenzamide?
N-[3-[(3-acetamido-1H-indazol-6-yl)sulfanyl]phenyl]-3-methoxybenzamide has a molecular weight of 432.51 g/mol, XLogP of 4.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-acetamido-1H-indazol-6-yl)sulfanyl]phenyl]-3-methoxybenzamide is sourced from PubChem (CID 168510234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).