cis-[(2R)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate

C19H26N2O6S — CID 11921071

IUPACcis-[(2R)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate
SMILESCc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2C[C@@H]2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H26N2O6S/c1-12-4-5-15(11-17(12)28(24,25)21-6-8-26-9-7-21)20-18(22)14(3)27-19(23)16-10-13(16)2/h4-5,11,13-14,16H,6-10H2,1-3H3,(H,20,22)/t13-,14+,16+/m0/s1
InChIKeyOOFKIBQVKYGNFK-SQWLQELKSA-N
MW410.49 g/mol
LogP1.54
Rot. Bonds6

About cis-[(2R)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate

cis-[(2R)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate (PubChem CID 11921071) has the molecular formula C19H26N2O6S and a molecular weight of 410.49 g/mol. Its IUPAC name is cis-[(2R)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-[(2R)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate
PubChem CID11921071
Molecular FormulaC19H26N2O6S
Molecular Weight410.49 g/mol
Exact Mass410.15
IUPAC Namecis-[(2R)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate
SMILESCc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2C[C@@H]2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H26N2O6S/c1-12-4-5-15(11-17(12)28(24,25)21-6-8-26-9-7-21)20-18(22)14(3)27-19(23)16-10-13(16)2/h4-5,11,13-14,16H,6-10H2,1-3H3,(H,20,22)/t13-,14+,16+/m0/s1
InChIKeyOOFKIBQVKYGNFK-SQWLQELKSA-N
XLogP1.54
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 26057888
(2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide
CID 9243660
[1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 3,4,5-trichloropyridine-2-carboxylate
CID 16509033
[(2R)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate
CID 98412961
2-(4-cyanophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 16545878
trans-[(2S)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 8020319
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
2-ethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 46549642
2-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 42987634
(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea
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Frequently Asked Questions

What is the IUPAC name of cis-[(2R)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate?
The IUPAC name of cis-[(2R)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate (CID 11921071) is cis-[(2R)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-[(2R)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for cis-[(2R)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate is Cc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2C[C@@H]2C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of cis-[(2R)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate?
The InChIKey is OOFKIBQVKYGNFK-SQWLQELKSA-N. The full InChI is InChI=1S/C19H26N2O6S/c1-12-4-5-15(11-17(12)28(24,25)21-6-8-26-9-7-21)20-18(22)14(3)27-19(23)16-10-13(16)2/h4-5,11,13-14,16H,6-10H2,1-3H3,(H,20,22)/t13-,14+,16+/m0/s1.
What are the key properties of cis-[(2R)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate?
cis-[(2R)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate has a molecular weight of 410.49 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-[(2R)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 11921071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).