methyl 1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]cyclopentane-1-carboxylate

C20H28N2O6S — CID 55561053

IUPACmethyl 1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCC1
InChIInChI=1S/C20H28N2O6S/c1-27-19(24)20(10-2-3-11-20)21-18(23)9-6-16-4-7-17(8-5-16)29(25,26)22-12-14-28-15-13-22/h4-5,7-8H,2-3,6,9-15H2,1H3,(H,21,23)
InChIKeyMPLZHAYJFUAQHU-UHFFFAOYSA-N
MW424.52 g/mol
LogP1.24
Rot. Bonds7

About methyl 1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]cyclopentane-1-carboxylate

methyl 1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]cyclopentane-1-carboxylate (PubChem CID 55561053) has the molecular formula C20H28N2O6S and a molecular weight of 424.52 g/mol. Its IUPAC name is methyl 1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]cyclopentane-1-carboxylate
PubChem CID55561053
Molecular FormulaC20H28N2O6S
Molecular Weight424.52 g/mol
Exact Mass424.17
IUPAC Namemethyl 1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCC1
InChIInChI=1S/C20H28N2O6S/c1-27-19(24)20(10-2-3-11-20)21-18(23)9-6-16-4-7-17(8-5-16)29(25,26)22-12-14-28-15-13-22/h4-5,7-8H,2-3,6,9-15H2,1H3,(H,21,23)
InChIKeyMPLZHAYJFUAQHU-UHFFFAOYSA-N
XLogP1.24
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]cyclopentane-1-carboxylate
CID 55561591
methyl 1-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]cyclopentane-1-carboxylate
CID 55560788
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55921189
N-[2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2997539
N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24678012
N-[(3-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 27231712
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide
CID 55806613
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
N-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 26536910
methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
CID 559409

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]cyclopentane-1-carboxylate (CID 55561053) is methyl 1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]cyclopentane-1-carboxylate is COC(=O)C1(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCC1.
What is the InChIKey of methyl 1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]cyclopentane-1-carboxylate?
The InChIKey is MPLZHAYJFUAQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O6S/c1-27-19(24)20(10-2-3-11-20)21-18(23)9-6-16-4-7-17(8-5-16)29(25,26)22-12-14-28-15-13-22/h4-5,7-8H,2-3,6,9-15H2,1H3,(H,21,23).
What are the key properties of methyl 1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]cyclopentane-1-carboxylate?
methyl 1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]cyclopentane-1-carboxylate has a molecular weight of 424.52 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]cyclopentane-1-carboxylate is sourced from PubChem (CID 55561053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).