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

C32H35N3O7S — CID 14626816

IUPACcyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-(2-methoxyethyl)indol-5-yl]carbamate
SMILESCOCCn1cc(Cc2ccc(C(=O)NS(=O)(=O)c3ccccc3)cc2OC)c2cc(NC(=O)OC3CCCC3)ccc21
InChIInChI=1S/C32H35N3O7S/c1-40-17-16-35-21-24(28-20-25(14-15-29(28)35)33-32(37)42-26-8-6-7-9-26)18-22-12-13-23(19-30(22)41-2)31(36)34-43(38,39)27-10-4-3-5-11-27/h3-5,10-15,19-21,26H,6-9,16-18H2,1-2H3,(H,33,37)(H,34,36)
InChIKeyZYFXZSJLWGWRDB-UHFFFAOYSA-N
MW605.71 g/mol
LogP5.50
Rot. Bonds11

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

cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-(2-methoxyethyl)indol-5-yl]carbamate (PubChem CID 14626816) has the molecular formula C32H35N3O7S and a molecular weight of 605.71 g/mol. Its IUPAC name is cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-(2-methoxyethyl)indol-5-yl]carbamate.

Molecular Properties

Compound Namecyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-(2-methoxyethyl)indol-5-yl]carbamate
PubChem CID14626816
Molecular FormulaC32H35N3O7S
Molecular Weight605.71 g/mol
Exact Mass605.22
IUPAC Namecyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-(2-methoxyethyl)indol-5-yl]carbamate
SMILESCOCCn1cc(Cc2ccc(C(=O)NS(=O)(=O)c3ccccc3)cc2OC)c2cc(NC(=O)OC3CCCC3)ccc21
InChIInChI=1S/C32H35N3O7S/c1-40-17-16-35-21-24(28-20-25(14-15-29(28)35)33-32(37)42-26-8-6-7-9-26)18-22-12-13-23(19-30(22)41-2)31(36)34-43(38,39)27-10-4-3-5-11-27/h3-5,10-15,19-21,26H,6-9,16-18H2,1-2H3,(H,33,37)(H,34,36)
InChIKeyZYFXZSJLWGWRDB-UHFFFAOYSA-N
XLogP5.50
TPSA124.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.71
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-(2-methoxyethyl)indol-5-yl]carbamate?
The IUPAC name of cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-(2-methoxyethyl)indol-5-yl]carbamate (CID 14626816) is cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-(2-methoxyethyl)indol-5-yl]carbamate.
What is the SMILES notation for cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-(2-methoxyethyl)indol-5-yl]carbamate?
The canonical SMILES for cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-(2-methoxyethyl)indol-5-yl]carbamate is COCCn1cc(Cc2ccc(C(=O)NS(=O)(=O)c3ccccc3)cc2OC)c2cc(NC(=O)OC3CCCC3)ccc21.
What is the InChIKey of cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-(2-methoxyethyl)indol-5-yl]carbamate?
The InChIKey is ZYFXZSJLWGWRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O7S/c1-40-17-16-35-21-24(28-20-25(14-15-29(28)35)33-32(37)42-26-8-6-7-9-26)18-22-12-13-23(19-30(22)41-2)31(36)34-43(38,39)27-10-4-3-5-11-27/h3-5,10-15,19-21,26H,6-9,16-18H2,1-2H3,(H,33,37)(H,34,36).
What are the key properties of cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-(2-methoxyethyl)indol-5-yl]carbamate?
cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-(2-methoxyethyl)indol-5-yl]carbamate has a molecular weight of 605.71 g/mol, XLogP of 5.50, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-(2-methoxyethyl)indol-5-yl]carbamate is sourced from PubChem (CID 14626816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).