cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindazol-5-yl]carbamate

C30H32N4O6S — CID 14626868

IUPACcyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindazol-5-yl]carbamate
SMILESCOc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12
InChIInChI=1S/C30H32N4O6S/c1-19-8-4-7-11-28(19)41(37,38)33-29(35)21-13-12-20(27(17-21)39-3)16-25-24-18-22(14-15-26(24)34(2)32-25)31-30(36)40-23-9-5-6-10-23/h4,7-8,11-15,17-18,23H,5-6,9-10,16H2,1-3H3,(H,31,36)(H,33,35)
InChIKeyHOTVSPQKJFKWJW-UHFFFAOYSA-N
MW576.68 g/mol
LogP5.09
Rot. Bonds8

About cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindazol-5-yl]carbamate

cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindazol-5-yl]carbamate (PubChem CID 14626868) has the molecular formula C30H32N4O6S and a molecular weight of 576.68 g/mol. Its IUPAC name is cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindazol-5-yl]carbamate.

Molecular Properties

Compound Namecyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindazol-5-yl]carbamate
PubChem CID14626868
Molecular FormulaC30H32N4O6S
Molecular Weight576.68 g/mol
Exact Mass576.20
IUPAC Namecyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindazol-5-yl]carbamate
SMILESCOc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12
InChIInChI=1S/C30H32N4O6S/c1-19-8-4-7-11-28(19)41(37,38)33-29(35)21-13-12-20(27(17-21)39-3)16-25-24-18-22(14-15-26(24)34(2)32-25)31-30(36)40-23-9-5-6-10-23/h4,7-8,11-15,17-18,23H,5-6,9-10,16H2,1-3H3,(H,31,36)(H,33,35)
InChIKeyHOTVSPQKJFKWJW-UHFFFAOYSA-N
XLogP5.09
TPSA128.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.68
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindazol-5-yl]carbamate?
The IUPAC name of cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindazol-5-yl]carbamate (CID 14626868) is cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindazol-5-yl]carbamate.
What is the SMILES notation for cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindazol-5-yl]carbamate?
The canonical SMILES for cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindazol-5-yl]carbamate is COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12.
What is the InChIKey of cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindazol-5-yl]carbamate?
The InChIKey is HOTVSPQKJFKWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O6S/c1-19-8-4-7-11-28(19)41(37,38)33-29(35)21-13-12-20(27(17-21)39-3)16-25-24-18-22(14-15-26(24)34(2)32-25)31-30(36)40-23-9-5-6-10-23/h4,7-8,11-15,17-18,23H,5-6,9-10,16H2,1-3H3,(H,31,36)(H,33,35).
What are the key properties of cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindazol-5-yl]carbamate?
cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindazol-5-yl]carbamate has a molecular weight of 576.68 g/mol, XLogP of 5.09, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindazol-5-yl]carbamate is sourced from PubChem (CID 14626868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).