cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methoxy]phenyl]carbamate

C27H28N2O7S — CID 14763140

IUPACcyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methoxy]phenyl]carbamate
SMILESCOc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1COc1cccc(NC(=O)OC2CCCC2)c1
InChIInChI=1S/C27H28N2O7S/c1-34-25-16-19(26(30)29-37(32,33)24-12-3-2-4-13-24)14-15-20(25)18-35-23-11-7-8-21(17-23)28-27(31)36-22-9-5-6-10-22/h2-4,7-8,11-17,22H,5-6,9-10,18H2,1H3,(H,28,31)(H,29,30)
InChIKeyVAZCQOYFVVSLSG-UHFFFAOYSA-N
MW524.60 g/mol
LogP4.88
Rot. Bonds9

About cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methoxy]phenyl]carbamate

cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methoxy]phenyl]carbamate (PubChem CID 14763140) has the molecular formula C27H28N2O7S and a molecular weight of 524.60 g/mol. Its IUPAC name is cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methoxy]phenyl]carbamate.

Molecular Properties

Compound Namecyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methoxy]phenyl]carbamate
PubChem CID14763140
Molecular FormulaC27H28N2O7S
Molecular Weight524.60 g/mol
Exact Mass524.16
IUPAC Namecyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methoxy]phenyl]carbamate
SMILESCOc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1COc1cccc(NC(=O)OC2CCCC2)c1
InChIInChI=1S/C27H28N2O7S/c1-34-25-16-19(26(30)29-37(32,33)24-12-3-2-4-13-24)14-15-20(25)18-35-23-11-7-8-21(17-23)28-27(31)36-22-9-5-6-10-22/h2-4,7-8,11-17,22H,5-6,9-10,18H2,1H3,(H,28,31)(H,29,30)
InChIKeyVAZCQOYFVVSLSG-UHFFFAOYSA-N
XLogP4.88
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.60
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

sodium;cyclopentyl N-[3-[1-[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]ethyl]-1H-indol-5-yl]carbamate;hydride
CID 173331698
cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-2-methyl-1H-indol-5-yl]carbamate
CID 69084803
potassium cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate
CID 11181062
calcium cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate
CID 23365845
sodium;cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate;hydride
CID 173138650
cyclopentyl N-[2,3-bis[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-(trideuteriomethyl)indol-5-yl]carbamate
CID 171381529
[4-[2-[[4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoyl]sulfamoyl]phenyl]-2-methylbut-3-yn-2-yl] acetate
CID 67884075
methyl 2-(benzenesulfonyl)-3-[4-[[6-(cyclopentyloxycarbonylamino)indazol-1-yl]methyl]-3-methoxyphenyl]-3-oxopropanoate
CID 14753018
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
[1-[2-[[4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoyl]sulfamoyl]phenyl]-4-methylpent-1-yn-3-yl] acetate
CID 19793620
N-(benzenesulfonyl)-4-[[6-[(2-cyclopentylacetyl)amino]-3-[3-(methylamino)-3-oxopropyl]indol-1-yl]methyl]-3-methoxybenzamide
CID 15013744
4-[[3-amino-6-(cyclopentanecarbonyl)indazol-1-yl]methyl]-N-(benzenesulfonyl)-3-methoxybenzamide
CID 70352221

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methoxy]phenyl]carbamate?
The IUPAC name of cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methoxy]phenyl]carbamate (CID 14763140) is cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methoxy]phenyl]carbamate.
What is the SMILES notation for cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methoxy]phenyl]carbamate?
The canonical SMILES for cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methoxy]phenyl]carbamate is COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1COc1cccc(NC(=O)OC2CCCC2)c1.
What is the InChIKey of cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methoxy]phenyl]carbamate?
The InChIKey is VAZCQOYFVVSLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O7S/c1-34-25-16-19(26(30)29-37(32,33)24-12-3-2-4-13-24)14-15-20(25)18-35-23-11-7-8-21(17-23)28-27(31)36-22-9-5-6-10-22/h2-4,7-8,11-17,22H,5-6,9-10,18H2,1H3,(H,28,31)(H,29,30).
What are the key properties of cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methoxy]phenyl]carbamate?
cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methoxy]phenyl]carbamate has a molecular weight of 524.60 g/mol, XLogP of 4.88, 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]methoxy]phenyl]carbamate is sourced from PubChem (CID 14763140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).