trans-(1R,2S)-1-(2-methoxy-5-methylphenyl)-2-(2-methoxypyrimidin-5-yl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide

C27H26N4O5S — CID 164571398

IUPACtrans-(1R,2S)-1-(2-methoxy-5-methylphenyl)-2-(2-methoxypyrimidin-5-yl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide
SMILESCOc1ncc([C@@H]2C[C@]2(C(=O)NS(=O)(=O)c2cccc3nc(C)ccc23)c2cc(C)ccc2OC)cn1
InChIInChI=1S/C27H26N4O5S/c1-16-8-11-23(35-3)20(12-16)27(13-21(27)18-14-28-26(36-4)29-15-18)25(32)31-37(33,34)24-7-5-6-22-19(24)10-9-17(2)30-22/h5-12,14-15,21H,13H2,1-4H3,(H,31,32)/t21-,27-/m0/s1
InChIKeyKXUZRIYVGRCJFE-IDISGSTGSA-N
MW518.60 g/mol
LogP3.59
Rot. Bonds7

About trans-(1R,2S)-1-(2-methoxy-5-methylphenyl)-2-(2-methoxypyrimidin-5-yl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide

trans-(1R,2S)-1-(2-methoxy-5-methylphenyl)-2-(2-methoxypyrimidin-5-yl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide (PubChem CID 164571398) has the molecular formula C27H26N4O5S and a molecular weight of 518.60 g/mol. Its IUPAC name is trans-(1R,2S)-1-(2-methoxy-5-methylphenyl)-2-(2-methoxypyrimidin-5-yl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2S)-1-(2-methoxy-5-methylphenyl)-2-(2-methoxypyrimidin-5-yl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide
PubChem CID164571398
Molecular FormulaC27H26N4O5S
Molecular Weight518.60 g/mol
Exact Mass518.16
IUPAC Nametrans-(1R,2S)-1-(2-methoxy-5-methylphenyl)-2-(2-methoxypyrimidin-5-yl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide
SMILESCOc1ncc([C@@H]2C[C@]2(C(=O)NS(=O)(=O)c2cccc3nc(C)ccc23)c2cc(C)ccc2OC)cn1
InChIInChI=1S/C27H26N4O5S/c1-16-8-11-23(35-3)20(12-16)27(13-21(27)18-14-28-26(36-4)29-15-18)25(32)31-37(33,34)24-7-5-6-22-19(24)10-9-17(2)30-22/h5-12,14-15,21H,13H2,1-4H3,(H,31,32)/t21-,27-/m0/s1
InChIKeyKXUZRIYVGRCJFE-IDISGSTGSA-N
XLogP3.59
TPSA120.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.60
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze trans-(1R,2S)-1-(2-methoxy-5-methylphenyl)-2-(2-methoxypyrimidin-5-yl)-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

Related Compounds

trans-(1S,2R)-1-(2-methoxy-5-methylphenyl)-N-(2-methylquinolin-5-yl)sulfonyl-2-(6-propan-2-yl-3-pyridinyl)cyclopropane-1-carboxamide
CID 164571498
trans-(1R,2S)-1-(2-methoxy-5-methylphenyl)-2-(5-methoxy-3-pyridinyl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide
CID 164571492
trans-(1S,2R)-1-(2-methoxy-5-methylphenyl)-N-(2-methylquinolin-5-yl)sulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 164571477
1-[(1S,2R)-2-(6-chloro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropyl]-2-(2-methylquinolin-5-yl)sulfonylethanone
CID 165001907
1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)oxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone
CID 165072548
cis-(1S,2S)-2-(2,6-dimethoxy-3-pyridinyl)-1-hydroxy-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide
CID 167151892
1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)-4-methyloxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone
CID 164977646
trans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate
CID 162419234
(1R)-4-cyclobutyl-7-methoxy-N-(2-methylquinolin-5-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310308
(2R)-2-(2-ethoxy-5-ethylphenyl)-N-(2-methylquinolin-5-yl)sulfonyloxolane-2-carboxamide
CID 164571549
trans-methyl (1R,2S)-2-(6-chloro-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylate
CID 164571407
methyl 1-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)cyclopropane-1-carboxylate
CID 172843058

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-(2-methoxy-5-methylphenyl)-2-(2-methoxypyrimidin-5-yl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2S)-1-(2-methoxy-5-methylphenyl)-2-(2-methoxypyrimidin-5-yl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide (CID 164571398) is trans-(1R,2S)-1-(2-methoxy-5-methylphenyl)-2-(2-methoxypyrimidin-5-yl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2S)-1-(2-methoxy-5-methylphenyl)-2-(2-methoxypyrimidin-5-yl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2S)-1-(2-methoxy-5-methylphenyl)-2-(2-methoxypyrimidin-5-yl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide is COc1ncc([C@@H]2C[C@]2(C(=O)NS(=O)(=O)c2cccc3nc(C)ccc23)c2cc(C)ccc2OC)cn1.
What is the InChIKey of trans-(1R,2S)-1-(2-methoxy-5-methylphenyl)-2-(2-methoxypyrimidin-5-yl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is KXUZRIYVGRCJFE-IDISGSTGSA-N. The full InChI is InChI=1S/C27H26N4O5S/c1-16-8-11-23(35-3)20(12-16)27(13-21(27)18-14-28-26(36-4)29-15-18)25(32)31-37(33,34)24-7-5-6-22-19(24)10-9-17(2)30-22/h5-12,14-15,21H,13H2,1-4H3,(H,31,32)/t21-,27-/m0/s1.
What are the key properties of trans-(1R,2S)-1-(2-methoxy-5-methylphenyl)-2-(2-methoxypyrimidin-5-yl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide?
trans-(1R,2S)-1-(2-methoxy-5-methylphenyl)-2-(2-methoxypyrimidin-5-yl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 518.60 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-(2-methoxy-5-methylphenyl)-2-(2-methoxypyrimidin-5-yl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 164571398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).