cis-(1S,2S)-2-(2,6-dimethoxy-3-pyridinyl)-1-hydroxy-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide

C21H21N3O6S — CID 167151892

IUPACcis-(1S,2S)-2-(2,6-dimethoxy-3-pyridinyl)-1-hydroxy-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide
SMILESCOc1ccc([C@@H]2C[C@@]2(O)C(=O)NS(=O)(=O)c2cccc3nc(C)ccc23)c(OC)n1
InChIInChI=1S/C21H21N3O6S/c1-12-7-8-14-16(22-12)5-4-6-17(14)31(27,28)24-20(25)21(26)11-15(21)13-9-10-18(29-2)23-19(13)30-3/h4-10,15,26H,11H2,1-3H3,(H,24,25)/t15-,21-/m0/s1
InChIKeyMNHXHHHWLJLZAQ-BTYIYWSLSA-N
MW443.48 g/mol
LogP1.68
Rot. Bonds6

About cis-(1S,2S)-2-(2,6-dimethoxy-3-pyridinyl)-1-hydroxy-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide

cis-(1S,2S)-2-(2,6-dimethoxy-3-pyridinyl)-1-hydroxy-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide (PubChem CID 167151892) has the molecular formula C21H21N3O6S and a molecular weight of 443.48 g/mol. Its IUPAC name is cis-(1S,2S)-2-(2,6-dimethoxy-3-pyridinyl)-1-hydroxy-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-(2,6-dimethoxy-3-pyridinyl)-1-hydroxy-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide
PubChem CID167151892
Molecular FormulaC21H21N3O6S
Molecular Weight443.48 g/mol
Exact Mass443.12
IUPAC Namecis-(1S,2S)-2-(2,6-dimethoxy-3-pyridinyl)-1-hydroxy-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide
SMILESCOc1ccc([C@@H]2C[C@@]2(O)C(=O)NS(=O)(=O)c2cccc3nc(C)ccc23)c(OC)n1
InChIInChI=1S/C21H21N3O6S/c1-12-7-8-14-16(22-12)5-4-6-17(14)31(27,28)24-20(25)21(26)11-15(21)13-9-10-18(29-2)23-19(13)30-3/h4-10,15,26H,11H2,1-3H3,(H,24,25)/t15-,21-/m0/s1
InChIKeyMNHXHHHWLJLZAQ-BTYIYWSLSA-N
XLogP1.68
TPSA127.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze cis-(1S,2S)-2-(2,6-dimethoxy-3-pyridinyl)-1-hydroxy-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-(2,6-dimethoxy-3-pyridinyl)-1-hydroxy-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-(2,6-dimethoxy-3-pyridinyl)-1-hydroxy-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide (CID 167151892) is cis-(1S,2S)-2-(2,6-dimethoxy-3-pyridinyl)-1-hydroxy-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-(2,6-dimethoxy-3-pyridinyl)-1-hydroxy-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-(2,6-dimethoxy-3-pyridinyl)-1-hydroxy-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide is COc1ccc([C@@H]2C[C@@]2(O)C(=O)NS(=O)(=O)c2cccc3nc(C)ccc23)c(OC)n1.
What is the InChIKey of cis-(1S,2S)-2-(2,6-dimethoxy-3-pyridinyl)-1-hydroxy-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is MNHXHHHWLJLZAQ-BTYIYWSLSA-N. The full InChI is InChI=1S/C21H21N3O6S/c1-12-7-8-14-16(22-12)5-4-6-17(14)31(27,28)24-20(25)21(26)11-15(21)13-9-10-18(29-2)23-19(13)30-3/h4-10,15,26H,11H2,1-3H3,(H,24,25)/t15-,21-/m0/s1.
What are the key properties of cis-(1S,2S)-2-(2,6-dimethoxy-3-pyridinyl)-1-hydroxy-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide?
cis-(1S,2S)-2-(2,6-dimethoxy-3-pyridinyl)-1-hydroxy-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 443.48 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-(2,6-dimethoxy-3-pyridinyl)-1-hydroxy-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 167151892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).