cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-methylindazol-5-yl]carbamate

C29H30N4O6S — CID 14626867

IUPACcyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-methylindazol-5-yl]carbamate
SMILESCN1C2=C(C=C(C=C2)NC(=O)OC3CCCC3)C(=N1)CC4=C(C=C(C=C4)C(=O)NS(=O)(=O)C5=CC=CC=C5)OC
InChIInChI=1S/C29H30N4O6S/c1-33-26-15-14-21(30-29(35)39-22-8-6-7-9-22)18-24(26)25(31-33)16-19-12-13-20(17-27(19)38-2)28(34)32-40(36,37)23-10-4-3-5-11-23/h3-5,10-15,17-18,22H,6-9,16H2,1-2H3,(H,30,35)(H,32,34)
InChIKeySKOXHEZNXXKBOY-UHFFFAOYSA-N
MW562.60 g/mol
LogP4.80
Rot. Bonds9

About cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-methylindazol-5-yl]carbamate

cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-methylindazol-5-yl]carbamate (PubChem CID 14626867) has the molecular formula C29H30N4O6S and a molecular weight of 562.60 g/mol. Its IUPAC name is cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-methylindazol-5-yl]carbamate.

Molecular Properties

Compound Namecyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-methylindazol-5-yl]carbamate
PubChem CID14626867
Molecular FormulaC29H30N4O6S
Molecular Weight562.60 g/mol
Exact Mass562.19
IUPAC Namecyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-methylindazol-5-yl]carbamate
SMILESCN1C2=C(C=C(C=C2)NC(=O)OC3CCCC3)C(=N1)CC4=C(C=C(C=C4)C(=O)NS(=O)(=O)C5=CC=CC=C5)OC
InChIInChI=1S/C29H30N4O6S/c1-33-26-15-14-21(30-29(35)39-22-8-6-7-9-22)18-24(26)25(31-33)16-19-12-13-20(17-27(19)38-2)28(34)32-40(36,37)23-10-4-3-5-11-23/h3-5,10-15,17-18,22H,6-9,16H2,1-2H3,(H,30,35)(H,32,34)
InChIKeySKOXHEZNXXKBOY-UHFFFAOYSA-N
XLogP4.80
TPSA137.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity977

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.60
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-methylindazol-5-yl]carbamate?
The IUPAC name of cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-methylindazol-5-yl]carbamate (CID 14626867) is cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-methylindazol-5-yl]carbamate.
What is the SMILES notation for cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-methylindazol-5-yl]carbamate?
The canonical SMILES for cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-methylindazol-5-yl]carbamate is CN1C2=C(C=C(C=C2)NC(=O)OC3CCCC3)C(=N1)CC4=C(C=C(C=C4)C(=O)NS(=O)(=O)C5=CC=CC=C5)OC.
What is the InChIKey of cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-methylindazol-5-yl]carbamate?
The InChIKey is SKOXHEZNXXKBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O6S/c1-33-26-15-14-21(30-29(35)39-22-8-6-7-9-22)18-24(26)25(31-33)16-19-12-13-20(17-27(19)38-2)28(34)32-40(36,37)23-10-4-3-5-11-23/h3-5,10-15,17-18,22H,6-9,16H2,1-2H3,(H,30,35)(H,32,34).
What are the key properties of cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-methylindazol-5-yl]carbamate?
cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-methylindazol-5-yl]carbamate has a molecular weight of 562.60 g/mol, XLogP of 4.80, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-methylindazol-5-yl]carbamate is sourced from PubChem (CID 14626867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).