2-indazol-1-yl-N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]acetamide

C16H22N4O3S — CID 96539486

IUPAC2-indazol-1-yl-N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]acetamide
SMILESCS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Cn1ncc2ccccc21
InChIInChI=1S/C16H22N4O3S/c1-24(22,23)19-14-7-4-6-12(14)9-17-16(21)11-20-15-8-3-2-5-13(15)10-18-20/h2-3,5,8,10,12,14,19H,4,6-7,9,11H2,1H3,(H,17,21)/t12-,14+/m1/s1
InChIKeyGGNWFNCDQSEXGP-OCCSQVGLSA-N
MW350.44 g/mol
LogP0.87
Rot. Bonds6

About 2-indazol-1-yl-N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]acetamide

2-indazol-1-yl-N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]acetamide (PubChem CID 96539486) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-indazol-1-yl-N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]acetamide.

Molecular Properties

Compound Name2-indazol-1-yl-N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]acetamide
PubChem CID96539486
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name2-indazol-1-yl-N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]acetamide
SMILESCS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Cn1ncc2ccccc21
InChIInChI=1S/C16H22N4O3S/c1-24(22,23)19-14-7-4-6-12(14)9-17-16(21)11-20-15-8-3-2-5-13(15)10-18-20/h2-3,5,8,10,12,14,19H,4,6-7,9,11H2,1H3,(H,17,21)/t12-,14+/m1/s1
InChIKeyGGNWFNCDQSEXGP-OCCSQVGLSA-N
XLogP0.87
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]acetamide?
The IUPAC name of 2-indazol-1-yl-N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]acetamide (CID 96539486) is 2-indazol-1-yl-N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]acetamide.
What is the SMILES notation for 2-indazol-1-yl-N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]acetamide?
The canonical SMILES for 2-indazol-1-yl-N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]acetamide is CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Cn1ncc2ccccc21.
What is the InChIKey of 2-indazol-1-yl-N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]acetamide?
The InChIKey is GGNWFNCDQSEXGP-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-24(22,23)19-14-7-4-6-12(14)9-17-16(21)11-20-15-8-3-2-5-13(15)10-18-20/h2-3,5,8,10,12,14,19H,4,6-7,9,11H2,1H3,(H,17,21)/t12-,14+/m1/s1.
What are the key properties of 2-indazol-1-yl-N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]acetamide?
2-indazol-1-yl-N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]acetamide has a molecular weight of 350.44 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]acetamide is sourced from PubChem (CID 96539486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).