sodium;cyclopentyl N-[3-[1-[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]ethyl]-1H-indol-5-yl]carbamate;hydride

C30H32N3NaO6S — CID 173331698

IUPACsodium;cyclopentyl N-[3-[1-[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]ethyl]-1H-indol-5-yl]carbamate;hydride
SMILESCOc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1C(C)c1c[nH]c2ccc(NC(=O)OC3CCCC3)cc12.[H-].[Na+]
InChIInChI=1S/C30H31N3O6S.Na.H/c1-19(26-18-31-27-15-13-21(17-25(26)27)32-30(35)39-22-8-6-7-9-22)24-14-12-20(16-28(24)38-2)29(34)33-40(36,37)23-10-4-3-5-11-23;;/h3-5,10-19,22,31H,6-9H2,1-2H3,(H,32,35)(H,33,34);;/q;+1;-1
InChIKeyINQFTGLQFSBFJV-UHFFFAOYSA-N
MW585.66 g/mol
LogP3.05
Rot. Bonds8

About sodium;cyclopentyl N-[3-[1-[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]ethyl]-1H-indol-5-yl]carbamate;hydride

sodium;cyclopentyl N-[3-[1-[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]ethyl]-1H-indol-5-yl]carbamate;hydride (PubChem CID 173331698) has the molecular formula C30H32N3NaO6S and a molecular weight of 585.66 g/mol. Its IUPAC name is sodium;cyclopentyl N-[3-[1-[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]ethyl]-1H-indol-5-yl]carbamate;hydride.

Molecular Properties

Compound Namesodium;cyclopentyl N-[3-[1-[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]ethyl]-1H-indol-5-yl]carbamate;hydride
PubChem CID173331698
Molecular FormulaC30H32N3NaO6S
Molecular Weight585.66 g/mol
Exact Mass585.19
IUPAC Namesodium;cyclopentyl N-[3-[1-[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]ethyl]-1H-indol-5-yl]carbamate;hydride
SMILESCOc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1C(C)c1c[nH]c2ccc(NC(=O)OC3CCCC3)cc12.[H-].[Na+]
InChIInChI=1S/C30H31N3O6S.Na.H/c1-19(26-18-31-27-15-13-21(17-25(26)27)32-30(35)39-22-8-6-7-9-22)24-14-12-20(16-28(24)38-2)29(34)33-40(36,37)23-10-4-3-5-11-23;;/h3-5,10-19,22,31H,6-9H2,1-2H3,(H,32,35)(H,33,34);;/q;+1;-1
InChIKeyINQFTGLQFSBFJV-UHFFFAOYSA-N
XLogP3.05
TPSA126.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.66
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of sodium;cyclopentyl N-[3-[1-[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]ethyl]-1H-indol-5-yl]carbamate;hydride?
The IUPAC name of sodium;cyclopentyl N-[3-[1-[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]ethyl]-1H-indol-5-yl]carbamate;hydride (CID 173331698) is sodium;cyclopentyl N-[3-[1-[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]ethyl]-1H-indol-5-yl]carbamate;hydride.
What is the SMILES notation for sodium;cyclopentyl N-[3-[1-[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]ethyl]-1H-indol-5-yl]carbamate;hydride?
The canonical SMILES for sodium;cyclopentyl N-[3-[1-[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]ethyl]-1H-indol-5-yl]carbamate;hydride is COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1C(C)c1c[nH]c2ccc(NC(=O)OC3CCCC3)cc12.[H-].[Na+].
What is the InChIKey of sodium;cyclopentyl N-[3-[1-[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]ethyl]-1H-indol-5-yl]carbamate;hydride?
The InChIKey is INQFTGLQFSBFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O6S.Na.H/c1-19(26-18-31-27-15-13-21(17-25(26)27)32-30(35)39-22-8-6-7-9-22)24-14-12-20(16-28(24)38-2)29(34)33-40(36,37)23-10-4-3-5-11-23;;/h3-5,10-19,22,31H,6-9H2,1-2H3,(H,32,35)(H,33,34);;/q;+1;-1.
What are the key properties of sodium;cyclopentyl N-[3-[1-[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]ethyl]-1H-indol-5-yl]carbamate;hydride?
sodium;cyclopentyl N-[3-[1-[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]ethyl]-1H-indol-5-yl]carbamate;hydride has a molecular weight of 585.66 g/mol, XLogP of 3.05, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;cyclopentyl N-[3-[1-[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]ethyl]-1H-indol-5-yl]carbamate;hydride is sourced from PubChem (CID 173331698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).